From 27d3d442976e83f689d6834fdac24432496e4a70 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer <akohlmey@gmail.com> Date: Thu, 17 Oct 2019 09:30:08 -0400 Subject: [PATCH] step version number, year, and changelog to reflect fixed bug. --- tools/ch2lmp/charmm2lammps.pl | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/tools/ch2lmp/charmm2lammps.pl b/tools/ch2lmp/charmm2lammps.pl index bda9ace2bc..b53bd00541 100755 --- a/tools/ch2lmp/charmm2lammps.pl +++ b/tools/ch2lmp/charmm2lammps.pl @@ -39,6 +39,7 @@ # 20161001 Added instructions in CMAP section to fix problem if 'ter' # is not designated in the .pdb file to identify last amino acid # 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 # against his projects. @@ -86,8 +87,8 @@ my $notes; $program = "charmm2lammps"; - $version = "1.9.1"; - $year = "2016"; + $version = "1.9.2"; + $year = "2018"; $add = 1; $water_dens = 0; $ions = 0;