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lammps
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step version number, year, and changelog to reflect fixed bug.

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Axel Kohlmeyer 2019-10-17 09:30:08 -04:00
parent 595aa7dff3
commit 27d3d44297
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1 changed files with 3 additions and 2 deletions
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tools/ch2lmp/charmm2lammps.pl
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@ -39,6 +39,7 @@
# 20161001 Added instructions in CMAP section to fix problem if 'ter' # 20161001 Added instructions in CMAP section to fix problem if 'ter'
# is not designated in the .pdb file to identify last amino acid # is not designated in the .pdb file to identify last amino acid
# 20161005 Added tweak to embed command line in generated LAMMPS input # 20161005 Added tweak to embed command line in generated LAMMPS input
# 20181120 Fix topology parsing bug
# #
# General Many thanks to Paul S. Crozier for checking script validity # General Many thanks to Paul S. Crozier for checking script validity
# against his projects. # against his projects.
@ -86,8 +87,8 @@
my $notes; my $notes;
$program = "charmm2lammps"; $program = "charmm2lammps";
$version = "1.9.1"; $version = "1.9.2";
$year = "2016"; $year = "2018";
$add = 1; $add = 1;
$water_dens = 0; $water_dens = 0;
$ions = 0; $ions = 0;