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.
http://www.gromacs.org/Downloads/User_contributions/Other_software
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.
sp...@xray.bmc.uu.se http://folding.bmc.uu.se
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