[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:
> Hello:
>   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
> best
> Albert
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

More information about the gromacs.org_gmx-users mailing list