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updated version info. updated some bad links in the documentation files
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jewettaij committed Aug 16, 2022
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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -42,7 +42,7 @@ Moltemplate is inter-operable with
[**ATB**](https://atb.uq.edu.au),
[**VMD/topotools**](https://www.ks.uiuc.edu/Research/vmd),
[**PACKMOL**](http://m3g.iqm.unicamp.br/packmol/home.shtml),
[**RED-server**](https://upjv.q4md-forcefieldtools.org/REDServer),
[**PyRED-server**](https://upjv.q4md-forcefieldtools.org),
[**LigParGen**](https://moltemplate.org/doc/moltemplate_talk_2019-8-15.pdf#page=190),
[**AmberTools**](https://ambermd.org/AmberTools.php),
[**Open Babel**](https://open-babel.readthedocs.io/en/latest/FileFormats/The_LAMMPS_data_format.html),
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4 changes: 2 additions & 2 deletions doc/doc_mol22lt.md
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Expand Up @@ -55,7 +55,7 @@ moltemplate.sh system.lt
The [MOL2 file format](https://zhanggroup.org/DockRMSD/mol2.pdf)
is a versatile file generated by many popular molecular simulation software
tools (including AmberTools, Gaussian, OpenBabel, and the
[RED server](https://upjv.q4md-forcefieldtools.org/REDServer)).
[PyRED-server](https://upjv.q4md-forcefieldtools.org)).

This program will extract the following information from a MOL2 file,
converting the result to a moltemplate LT file
Expand Down Expand Up @@ -269,5 +269,5 @@ ConvertMol22Lt(fMol2,
fLT,
ff_name = 'GAFF2', # <-- optional argument
ff_file = 'gaff2.lt', # <-- optional argument
object_name = 'PPS_5mer') # <-- optional argument
object_name = 'PPS5') # <-- optional argument
```
2 changes: 1 addition & 1 deletion moltemplate/scripts/moltemplate.sh
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Expand Up @@ -6,7 +6,7 @@
# Copyright (c) 2013

G_PROGRAM_NAME="moltemplate.sh"
G_VERSION="2.20.8"
G_VERSION="2.20.9"
G_DATE="2022-8-16"

echo "${G_PROGRAM_NAME} v${G_VERSION} ${G_DATE}" >&2
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4 changes: 2 additions & 2 deletions setup.py
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Expand Up @@ -45,9 +45,9 @@

url='https://github.com/jewettaij/moltemplate',

download_url='https://github.com/jewettaij/moltemplate/archive/v2.20.8.zip',
download_url='https://github.com/jewettaij/moltemplate/archive/v2.20.9.zip',

version='2.20.8',
version='2.20.9',

keywords=['simulation', 'LAMMPS', 'molecule editor', 'molecule builder',
'ESPResSo'],
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