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lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1841 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2008-05-16 22:12:35 +00:00
parent e520a220a3
commit 910d982db4
2 changed files with 6 additions and 2 deletions
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6
tools/README
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@ -12,19 +12,23 @@ at.
These are the included tools:
amber2lammps python scripts for using AMBER to setup LAMMPS input
amber2lmp python scripts for using AMBER to setup LAMMPS input
binary2txt convert a LAMMPS dump file from binary to ASCII text
ch2lmp convert CHARMM files to LAMMPS input
chain create a data file of bead-spring chains
data2xmovie convert a data file to a snapshot that xmovie can viz
eam_generate generate EAM potential files
lmp2arc convert LAMMPS output to Accelrys Insight format
lmp2cfg convert LAMMPS output to CFG files for AtomEye viz
lmp2traj convert LAMMPS output to contour, density profiles
lmp2vmd tools for visualizing and analyzing LAMMPS data with VMD
matlab MatLab scripts for post-processing LAMMPS output
micelle2d create a data file of small lipid chains in solvent
msi2lmp use Accelrys Insight code to setup LAMMPS input
pymol_asphere convert LAMMPS output of ellipsoids to PyMol format
python Python scripts for post-processing LAMMPS output
restart2data convert a binary restart file to an input data file
thermo_extract C program for extracting thermo info from log file
vim add-ons to VIM editor for editing LAMMPS input scripts
xmovie a quick/simple viz package (2d projections of 3d)

2
tools/restart2data.cpp
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@ -409,7 +409,7 @@ int main (int argc, char **argv)
void header(FILE *fp, Data &data)
{
char *version = "22 Jan 2008";
char *version = "21 May 2008";
data.triclinic = 0;