[gmx-users] where is the script?
David van der Spoel
spoel at xray.bmc.uu.se
Mon Nov 26 14:36:37 CET 2012
On 2012-11-26 12:00, Albert wrote:
> I found that someone mentioned that there is a script from Mark which
> could be used to convert CGenff format into Gromacs .itp file. I
> searched the mailist and didn't find it.
> I am just wondering where can I obtain this script?
> thank you very much
It's posted on the website.
You want this one: charmm2gromacs-pvm.py
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
spoel at xray.bmc.uu.se http://folding.bmc.uu.se
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