diff --git a/src/dump_dcd.cpp b/src/dump_dcd.cpp
index 0ae2b707ea..6794cfbc64 100644
--- a/src/dump_dcd.cpp
+++ b/src/dump_dcd.cpp
@@ -1,366 +1,366 @@
-/* ----------------------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   http://lammps.sandia.gov, Sandia National Laboratories
-   Steve Plimpton, sjplimp@sandia.gov
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under 
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-------------------------------------------------------------------------- */
-
-/* ----------------------------------------------------------------------
-   Contributing author: Naveen Michaud-Agrawal (Johns Hopkins U)
-                        Axel Kohlmeyer (Temple U), support for groups
-------------------------------------------------------------------------- */
-
-#include "math.h"
-#include "inttypes.h"
-#include "stdio.h"
-#include "time.h"
-#include "string.h"
-#include "dump_dcd.h"
-#include "domain.h"
-#include "atom.h"
-#include "update.h"
-#include "output.h"
-#include "group.h"
-#include "memory.h"
-#include "error.h"
-
-using namespace LAMMPS_NS;
-
-#define NFILE_POS 8L
-#define NSTEP_POS 20L
-
-// necessary to set SEEK params b/c MPI-2 messes with these settings
-
-#ifndef SEEK_SET
-#define SEEK_SET        0
-#define SEEK_CUR        1
-#define SEEK_END        2
-#endif
-
-/* ---------------------------------------------------------------------- */
-
-static inline void fwrite_int32(FILE* fd, uint32_t i)
-{
-  fwrite(&i,sizeof(uint32_t),1,fd);
-}
-
-/* ---------------------------------------------------------------------- */
-
-DumpDCD::DumpDCD(LAMMPS *lmp, int narg, char **arg) : Dump(lmp, narg, arg)
-{
-  if (narg != 5) error->all("Illegal dump dcd command");
-  if (binary || compressed || multifile || multiproc)
-    error->all("Invalid dump dcd filename");
-
-  size_one = 3;
-  sort_flag = 1;
-  sortcol = 0;
-
-  unwrap_flag = 0;
-  format_default = NULL;
-    
-  // allocate global array for atom coords
-
-  if (igroup == 0) natoms = static_cast<int> (atom->natoms);
-  else natoms = static_cast<int> (group->count(igroup));
-  if (natoms <= 0) error->all("Invalid natoms for dump dcd");
-
-  coords = (float *) memory->smalloc(3*natoms*sizeof(float),"dump:coords");
-  xf = &coords[0*natoms];
-  yf = &coords[1*natoms];
-  zf = &coords[2*natoms];
-
-  openfile();
-  headerflag = 0;
-  nevery_save = 0;
-  ntotal = 0;
-}
-
-/* ---------------------------------------------------------------------- */
-
-DumpDCD::~DumpDCD()
-{
-  memory->sfree(coords);
-}
-
-/* ---------------------------------------------------------------------- */
-
-void DumpDCD::init_style()
-{
-  if (sort_flag == 0 || sortcol != 0)
-    error->all("Dump dcd requires sorting by atom ID");
-
-  // check that dump frequency has not changed and is not a variable
-
-  int idump;
-  for (idump = 0; idump < output->ndump; idump++)
-    if (strcmp(id,output->dump[idump]->id) == 0) break;
-  if (output->every_dump[idump] == 0)
-    error->all("Cannot use variable every setting for dump dcd");
-
-  if (nevery_save == 0) nevery_save = output->every_dump[idump];
-  else if (nevery_save != output->every_dump[idump])
-    error->all("Cannot change dump_modify every for dump dcd");
-}
-
-/* ---------------------------------------------------------------------- */
-
-void DumpDCD::openfile()
-{
-  if (me == 0) {
-    fp = fopen(filename,"wb");
-    if (fp == NULL) error->one("Cannot open dump file");
-  }
-}
-
-/* ---------------------------------------------------------------------- */
-
-void DumpDCD::write_header(int n)
-{
-  if (n != natoms) error->all("Dump dcd of non-matching # of atoms");
-
-  // first time, write header for entire file
-
-  if (headerflag == 0) {
-    if (me == 0) write_dcd_header("Written by LAMMPS");
-    headerflag = 1;
-    nframes = 0;
-  }
-
-  // dim[] = size and angle cosines of orthogonal or triclinic box
-  // dim[0] = a = length of unit cell vector along x-axis
-  // dim[1] = gamma = cosine of angle between a and b
-  // dim[2] = b = length of unit cell vector in xy-plane
-  // dim[3] = beta = cosine of angle between a and c
-  // dim[4] = alpha = cosine of angle between b and c
-  // dim[5] = c = length of final unit cell vector
-  // 48 = 6 doubles
-
-  double dim[6];
-  if (domain->triclinic) {
-    double *h = domain->h;
-    double alen = h[0];
-    double blen = sqrt(h[5]*h[5] + h[1]*h[1]);
-    double clen = sqrt(h[4]*h[4] + h[3]*h[3] + h[2]*h[2]);
-    dim[0] = alen;
-    dim[2] = blen;
-    dim[5] = clen;
-    dim[4] = (h[5]*h[4] + h[1]*h[3]) / blen/clen; // alpha
-    dim[3] = (h[0]*h[4]) / alen/clen;             // beta
-    dim[1] = (h[0]*h[5]) / alen/blen;             // gamma
-  } else {
-    dim[0] = domain->xprd;
-    dim[2] = domain->yprd;
-    dim[5] = domain->zprd;
-    dim[1] = dim[3] = dim[4] = 0.0;
-  }
-  
-  if (me == 0) {
-    uint32_t out_integer = 48;
-    fwrite_int32(fp,out_integer);
-    fwrite(dim,out_integer,1,fp); 
-    fwrite_int32(fp,out_integer);
-    if (flush_flag) fflush(fp);
-  }
-}
-
-/* ---------------------------------------------------------------------- */
-
-int DumpDCD::count()
-{
-  if (igroup == 0) return atom->nlocal;
-
-  int *mask = atom->mask;
-  int nlocal = atom->nlocal;
-
-  int m = 0;
-  for (int i = 0; i < nlocal; i++)
-    if (mask[i] & groupbit) m++;
-  return m;
-}
-
-/* ---------------------------------------------------------------------- */
-
-void DumpDCD::pack(int *ids)
-{
-  int m,n;
-
-  int *tag = atom->tag;
-  double **x = atom->x;
-  int *image = atom->image;
-  int *mask = atom->mask;
-  int nlocal = atom->nlocal;
-
-  m = n = 0;
-  if (unwrap_flag) {
-    double xprd = domain->xprd;
-    double yprd = domain->yprd;
-    double zprd = domain->zprd;
-    double xy = domain->xy;
-    double xz = domain->xz;
-    double yz = domain->yz;
-
-    for (int i = 0; i < nlocal; i++) {
-      if (mask[i] & groupbit) {
-	int ix = (image[i] & 1023) - 512;
-	int iy = (image[i] >> 10 & 1023) - 512;
-	int iz = (image[i] >> 20) - 512;
-
-	if (domain->triclinic) {
-	  buf[m++] = x[i][0] + ix * xprd + iy * xy + iz * xz;
-	  buf[m++] = x[i][1] + iy * yprd + iz * yz;
-	  buf[m++] = x[i][2] + iz * zprd;
-	} else {
-	  buf[m++] = x[i][0] + ix * xprd;
-	  buf[m++] = x[i][1] + iy * yprd;
-	  buf[m++] = x[i][2] + iz * zprd;
-	}
-	ids[n++] = tag[i];
-      }
-    }
-
-  } else {
-    for (int i = 0; i < nlocal; i++)
-      if (mask[i] & groupbit) {
-	buf[m++] = x[i][0];
-	buf[m++] = x[i][1];
-	buf[m++] = x[i][2];
-	ids[n++] = tag[i];
-      }
-  }
-}
-
-/* ---------------------------------------------------------------------- */
-
-void DumpDCD::write_data(int n, double *mybuf)
-{
-  // copy buf atom coords into 3 global arrays
-
-  int m = 0;
-  for (int i = 0; i < n; i++) {
-    xf[ntotal] = mybuf[m++];
-    yf[ntotal] = mybuf[m++];
-    zf[ntotal] = mybuf[m++];
-    ntotal++;
-  }
-
-  // if last chunk of atoms in this snapshot, write global arrays to file
-
-  if (ntotal == natoms) {
-    write_frame();
-    ntotal = 0;
-  }
-}
-
-/* ---------------------------------------------------------------------- */
-
-int DumpDCD::modify_param(int narg, char **arg)
-{
-  if (strcmp(arg[0],"unwrap") == 0) {
-    if (narg < 2) error->all("Illegal dump_modify command");
-    if (strcmp(arg[1],"yes") == 0) unwrap_flag = 1;
-    else if (strcmp(arg[1],"no") == 0) unwrap_flag = 0;
-    else error->all("Illegal dump_modify command");
-    return 2;
-  }
-  return 0;
-}
-
-/* ----------------------------------------------------------------------
-   return # of bytes of allocated memory in buf and global coords array
-------------------------------------------------------------------------- */
-
-double DumpDCD::memory_usage()
-{
-  double bytes = Dump::memory_usage();
-  bytes += 3*natoms * sizeof(float);
-  return bytes;
-}
-
-/* ---------------------------------------------------------------------- */
-
-void DumpDCD::write_frame()
-{
-  // write coords
-
-  uint32_t out_integer = natoms*sizeof(float);
-  fwrite_int32(fp,out_integer);
-  fwrite(xf,out_integer,1,fp);
-  fwrite_int32(fp,out_integer);
-  fwrite_int32(fp,out_integer);
-  fwrite(yf,out_integer,1,fp);
-  fwrite_int32(fp,out_integer);
-  fwrite_int32(fp,out_integer);
-  fwrite(zf,out_integer,1,fp);
-  fwrite_int32(fp,out_integer);
-  
-  // update NFILE and NSTEP fields in DCD header
-
-  nframes++;
-  out_integer = nframes;
-  fseek(fp,NFILE_POS,SEEK_SET);
-  fwrite_int32(fp,out_integer);
-  out_integer = update->ntimestep;
-  fseek(fp,NSTEP_POS,SEEK_SET);
-  fwrite_int32(fp,out_integer);
-  fseek(fp,0,SEEK_END);
-}
-
-/* ---------------------------------------------------------------------- */
-
-void DumpDCD::write_dcd_header(const char *remarks)
-{
-  uint32_t out_integer;
-  float out_float;
-  char title_string[200];
-  time_t cur_time;
-  struct tm *tmbuf;
-
-  out_integer = 84;
-  fwrite_int32(fp,out_integer);
-  strcpy(title_string,"CORD");
-  fwrite(title_string,4,1,fp);
-  fwrite_int32(fp,0);                    // NFILE = # of snapshots in file
-  fwrite_int32(fp,update->ntimestep);    // START = timestep of first snapshot
-  fwrite_int32(fp,nevery_save);          // SKIP = interval between snapshots
-  fwrite_int32(fp,update->ntimestep);    // NSTEP = timestep of last snapshot
-  fwrite_int32(fp,0);			 // NAMD writes NSTEP or ISTART
-  fwrite_int32(fp,0);
-  fwrite_int32(fp,0);
-  fwrite_int32(fp,0);
-  fwrite_int32(fp,0);
-  out_float = update->dt;
-  fwrite(&out_float,sizeof(float),1,fp);
-  fwrite_int32(fp,1);
-  fwrite_int32(fp,0);
-  fwrite_int32(fp,0);
-  fwrite_int32(fp,0);
-  fwrite_int32(fp,0);
-  fwrite_int32(fp,0);
-  fwrite_int32(fp,0);
-  fwrite_int32(fp,0);
-  fwrite_int32(fp,0);
-  fwrite_int32(fp,24);                   // pretend to be Charmm version 24
-  fwrite_int32(fp,84);
-  fwrite_int32(fp,164);
-  fwrite_int32(fp,2);
-  strncpy(title_string,remarks,80);
-  title_string[79] = '\0';
-  fwrite(title_string,80,1,fp);
-  cur_time=time(NULL);
-  tmbuf=localtime(&cur_time);
-  memset(title_string,' ',81);
-  strftime(title_string,80,"REMARKS Created %d %B,%Y at %R",tmbuf);
-  fwrite(title_string,80,1,fp);
-  fwrite_int32(fp,164);
-  fwrite_int32(fp,4);
-  fwrite_int32(fp,natoms);                // number of atoms in each snapshot
-  fwrite_int32(fp,4);
-  if (flush_flag) fflush(fp);
-}
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under 
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author: Naveen Michaud-Agrawal (Johns Hopkins U)
+                        Axel Kohlmeyer (Temple U), support for groups
+------------------------------------------------------------------------- */
+
+#include "math.h"
+#include "inttypes.h"
+#include "stdio.h"
+#include "time.h"
+#include "string.h"
+#include "dump_dcd.h"
+#include "domain.h"
+#include "atom.h"
+#include "update.h"
+#include "output.h"
+#include "group.h"
+#include "memory.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+#define NFILE_POS 8L
+#define NSTEP_POS 20L
+
+// necessary to set SEEK params b/c MPI-2 messes with these settings
+
+#ifndef SEEK_SET
+#define SEEK_SET        0
+#define SEEK_CUR        1
+#define SEEK_END        2
+#endif
+
+/* ---------------------------------------------------------------------- */
+
+static inline void fwrite_int32(FILE* fd, uint32_t i)
+{
+  fwrite(&i,sizeof(uint32_t),1,fd);
+}
+
+/* ---------------------------------------------------------------------- */
+
+DumpDCD::DumpDCD(LAMMPS *lmp, int narg, char **arg) : Dump(lmp, narg, arg)
+{
+  if (narg != 5) error->all("Illegal dump dcd command");
+  if (binary || compressed || multifile || multiproc)
+    error->all("Invalid dump dcd filename");
+
+  size_one = 3;
+  sort_flag = 1;
+  sortcol = 0;
+
+  unwrap_flag = 0;
+  format_default = NULL;
+    
+  // allocate global array for atom coords
+
+  if (igroup == 0) natoms = static_cast<int> (atom->natoms);
+  else natoms = static_cast<int> (group->count(igroup));
+  if (natoms <= 0) error->all("Invalid natoms for dump dcd");
+
+  coords = (float *) memory->smalloc(3*natoms*sizeof(float),"dump:coords");
+  xf = &coords[0*natoms];
+  yf = &coords[1*natoms];
+  zf = &coords[2*natoms];
+
+  openfile();
+  headerflag = 0;
+  nevery_save = 0;
+  ntotal = 0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+DumpDCD::~DumpDCD()
+{
+  memory->sfree(coords);
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DumpDCD::init_style()
+{
+  if (sort_flag == 0 || sortcol != 0)
+    error->all("Dump dcd requires sorting by atom ID");
+
+  // check that dump frequency has not changed and is not a variable
+
+  int idump;
+  for (idump = 0; idump < output->ndump; idump++)
+    if (strcmp(id,output->dump[idump]->id) == 0) break;
+  if (output->every_dump[idump] == 0)
+    error->all("Cannot use variable every setting for dump dcd");
+
+  if (nevery_save == 0) nevery_save = output->every_dump[idump];
+  else if (nevery_save != output->every_dump[idump])
+    error->all("Cannot change dump_modify every for dump dcd");
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DumpDCD::openfile()
+{
+  if (me == 0) {
+    fp = fopen(filename,"wb");
+    if (fp == NULL) error->one("Cannot open dump file");
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DumpDCD::write_header(int n)
+{
+  if (n != natoms) error->all("Dump dcd of non-matching # of atoms");
+
+  // first time, write header for entire file
+
+  if (headerflag == 0) {
+    if (me == 0) write_dcd_header("Written by LAMMPS");
+    headerflag = 1;
+    nframes = 0;
+  }
+
+  // dim[] = size and angle cosines of orthogonal or triclinic box
+  // dim[0] = a = length of unit cell vector along x-axis
+  // dim[1] = gamma = cosine of angle between a and b
+  // dim[2] = b = length of unit cell vector in xy-plane
+  // dim[3] = beta = cosine of angle between a and c
+  // dim[4] = alpha = cosine of angle between b and c
+  // dim[5] = c = length of final unit cell vector
+  // 48 = 6 doubles
+
+  double dim[6];
+  if (domain->triclinic) {
+    double *h = domain->h;
+    double alen = h[0];
+    double blen = sqrt(h[5]*h[5] + h[1]*h[1]);
+    double clen = sqrt(h[4]*h[4] + h[3]*h[3] + h[2]*h[2]);
+    dim[0] = alen;
+    dim[2] = blen;
+    dim[5] = clen;
+    dim[4] = (h[5]*h[4] + h[1]*h[3]) / blen/clen; // alpha
+    dim[3] = (h[0]*h[4]) / alen/clen;             // beta
+    dim[1] = (h[0]*h[5]) / alen/blen;             // gamma
+  } else {
+    dim[0] = domain->xprd;
+    dim[2] = domain->yprd;
+    dim[5] = domain->zprd;
+    dim[1] = dim[3] = dim[4] = 0.0;
+  }
+  
+  if (me == 0) {
+    uint32_t out_integer = 48;
+    fwrite_int32(fp,out_integer);
+    fwrite(dim,out_integer,1,fp); 
+    fwrite_int32(fp,out_integer);
+    if (flush_flag) fflush(fp);
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+int DumpDCD::count()
+{
+  if (igroup == 0) return atom->nlocal;
+
+  int *mask = atom->mask;
+  int nlocal = atom->nlocal;
+
+  int m = 0;
+  for (int i = 0; i < nlocal; i++)
+    if (mask[i] & groupbit) m++;
+  return m;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DumpDCD::pack(int *ids)
+{
+  int m,n;
+
+  int *tag = atom->tag;
+  double **x = atom->x;
+  int *image = atom->image;
+  int *mask = atom->mask;
+  int nlocal = atom->nlocal;
+
+  m = n = 0;
+  if (unwrap_flag) {
+    double xprd = domain->xprd;
+    double yprd = domain->yprd;
+    double zprd = domain->zprd;
+    double xy = domain->xy;
+    double xz = domain->xz;
+    double yz = domain->yz;
+
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) {
+	int ix = (image[i] & 1023) - 512;
+	int iy = (image[i] >> 10 & 1023) - 512;
+	int iz = (image[i] >> 20) - 512;
+
+	if (domain->triclinic) {
+	  buf[m++] = x[i][0] + ix * xprd + iy * xy + iz * xz;
+	  buf[m++] = x[i][1] + iy * yprd + iz * yz;
+	  buf[m++] = x[i][2] + iz * zprd;
+	} else {
+	  buf[m++] = x[i][0] + ix * xprd;
+	  buf[m++] = x[i][1] + iy * yprd;
+	  buf[m++] = x[i][2] + iz * zprd;
+	}
+	ids[n++] = tag[i];
+      }
+    }
+
+  } else {
+    for (int i = 0; i < nlocal; i++)
+      if (mask[i] & groupbit) {
+	buf[m++] = x[i][0];
+	buf[m++] = x[i][1];
+	buf[m++] = x[i][2];
+	ids[n++] = tag[i];
+      }
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DumpDCD::write_data(int n, double *mybuf)
+{
+  // copy buf atom coords into 3 global arrays
+
+  int m = 0;
+  for (int i = 0; i < n; i++) {
+    xf[ntotal] = mybuf[m++];
+    yf[ntotal] = mybuf[m++];
+    zf[ntotal] = mybuf[m++];
+    ntotal++;
+  }
+
+  // if last chunk of atoms in this snapshot, write global arrays to file
+
+  if (ntotal == natoms) {
+    write_frame();
+    ntotal = 0;
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+int DumpDCD::modify_param(int narg, char **arg)
+{
+  if (strcmp(arg[0],"unwrap") == 0) {
+    if (narg < 2) error->all("Illegal dump_modify command");
+    if (strcmp(arg[1],"yes") == 0) unwrap_flag = 1;
+    else if (strcmp(arg[1],"no") == 0) unwrap_flag = 0;
+    else error->all("Illegal dump_modify command");
+    return 2;
+  }
+  return 0;
+}
+
+/* ----------------------------------------------------------------------
+   return # of bytes of allocated memory in buf and global coords array
+------------------------------------------------------------------------- */
+
+double DumpDCD::memory_usage()
+{
+  double bytes = Dump::memory_usage();
+  bytes += 3*natoms * sizeof(float);
+  return bytes;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DumpDCD::write_frame()
+{
+  // write coords
+
+  uint32_t out_integer = natoms*sizeof(float);
+  fwrite_int32(fp,out_integer);
+  fwrite(xf,out_integer,1,fp);
+  fwrite_int32(fp,out_integer);
+  fwrite_int32(fp,out_integer);
+  fwrite(yf,out_integer,1,fp);
+  fwrite_int32(fp,out_integer);
+  fwrite_int32(fp,out_integer);
+  fwrite(zf,out_integer,1,fp);
+  fwrite_int32(fp,out_integer);
+  
+  // update NFILE and NSTEP fields in DCD header
+
+  nframes++;
+  out_integer = nframes;
+  fseek(fp,NFILE_POS,SEEK_SET);
+  fwrite_int32(fp,out_integer);
+  out_integer = update->ntimestep;
+  fseek(fp,NSTEP_POS,SEEK_SET);
+  fwrite_int32(fp,out_integer);
+  fseek(fp,0,SEEK_END);
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DumpDCD::write_dcd_header(const char *remarks)
+{
+  uint32_t out_integer;
+  float out_float;
+  char title_string[200];
+  time_t cur_time;
+  struct tm *tmbuf;
+
+  out_integer = 84;
+  fwrite_int32(fp,out_integer);
+  strcpy(title_string,"CORD");
+  fwrite(title_string,4,1,fp);
+  fwrite_int32(fp,0);                    // NFILE = # of snapshots in file
+  fwrite_int32(fp,update->ntimestep);    // START = timestep of first snapshot
+  fwrite_int32(fp,nevery_save);          // SKIP = interval between snapshots
+  fwrite_int32(fp,update->ntimestep);    // NSTEP = timestep of last snapshot
+  fwrite_int32(fp,0);			 // NAMD writes NSTEP or ISTART
+  fwrite_int32(fp,0);
+  fwrite_int32(fp,0);
+  fwrite_int32(fp,0);
+  fwrite_int32(fp,0);
+  out_float = update->dt;
+  fwrite(&out_float,sizeof(float),1,fp);
+  fwrite_int32(fp,1);
+  fwrite_int32(fp,0);
+  fwrite_int32(fp,0);
+  fwrite_int32(fp,0);
+  fwrite_int32(fp,0);
+  fwrite_int32(fp,0);
+  fwrite_int32(fp,0);
+  fwrite_int32(fp,0);
+  fwrite_int32(fp,0);
+  fwrite_int32(fp,24);                   // pretend to be Charmm version 24
+  fwrite_int32(fp,84);
+  fwrite_int32(fp,164);
+  fwrite_int32(fp,2);
+  strncpy(title_string,remarks,80);
+  title_string[79] = '\0';
+  fwrite(title_string,80,1,fp);
+  cur_time=time(NULL);
+  tmbuf=localtime(&cur_time);
+  memset(title_string,' ',81);
+  strftime(title_string,80,"REMARKS Created %d %B,%Y at %R",tmbuf);
+  fwrite(title_string,80,1,fp);
+  fwrite_int32(fp,164);
+  fwrite_int32(fp,4);
+  fwrite_int32(fp,natoms);                // number of atoms in each snapshot
+  fwrite_int32(fp,4);
+  if (flush_flag) fflush(fp);
+}