From 128f260cb50bcc22f213b614c1d350f2f2d784ba Mon Sep 17 00:00:00 2001
From: sjplimp
The moltemplate sub-directory contains a Python-based tool for +building molecular systems based on a text-file description, and +creating LAMMPS data files that encode their molecular topology as +lists of bonds, angles, dihedrals, etc. See the README.TXT file for +more information. +
+This tool was written by Andrew Jewett (jewett.aij at gmail.com), who +supports it. It has its own WWW page at +http://moltemplate.org. +
+The msi2lmp sub-directory contains a tool for creating LAMMPS input diff --git a/doc/Section_tools.txt b/doc/Section_tools.txt index 05a4fe65c0..2d1a1d3fd5 100644 --- a/doc/Section_tools.txt +++ b/doc/Section_tools.txt @@ -55,6 +55,7 @@ own sub-directories with their own Makefiles. "lmp2vmd"_#vmd "matlab"_#matlab "micelle2d"_#micelle +"moltemplate"_#moltemplate "msi2lmp"_#msi "pymol_asphere"_#pymol "python"_#pythontools @@ -293,6 +294,20 @@ definition file. This tool was used to create the system for the :line +moltemplate tool :h4,link(moltemplate) + +The moltemplate sub-directory contains a Python-based tool for +building molecular systems based on a text-file description, and +creating LAMMPS data files that encode their molecular topology as +lists of bonds, angles, dihedrals, etc. See the README.TXT file for +more information. + +This tool was written by Andrew Jewett (jewett.aij at gmail.com), who +supports it. It has its own WWW page at +"http://moltemplate.org"_http://moltemplate.org. + +:line + msi2lmp tool :h4,link(msi) The msi2lmp sub-directory contains a tool for creating LAMMPS input