forked from lijiext/lammps
12 lines
678 B
Plaintext
12 lines
678 B
Plaintext
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The charmm2lmp sub-directory contains tools for converting files back-and-forth between
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the CHARMM MD code and LAMMPS.
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The charmm2lammps.pl perl script converts CHARMM input files into LAMMPS input.
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The lammps2pdb.pl perl script converts LAMMPS dump files into a pdb series file.
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The mkpdb.f fortran 90 code also converts LAMMPS dump files into PDB files, and the
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mkdcd.f tool converts LAMMPS dump files into CHARMM *.dcd trajectory files that can
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be read-in to CHARMM for analysis. See the README file in the charmm2lmp sub-directory
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for more information.
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These tools were written by Pieter J. in 't Veld (pjintve@sandia.gov) and Paul Crozier
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(pscrozi@sandia.gov) at Sandia.
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