On 2010-07-02 22.00, Arthur Roberts wrote:
Hi, all,
Is there a way to protonate small molecules with gromacs without editing
ffgmx2.hdb file?
No, but try the prodrg server.
Sincerely,
Art
Art Roberts
7254 Shoreline Dr. #130
San Diego, CA 92122
cell: 206-850-7468
email: [email protected]
skype=aroberts92122
--
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
[email protected] http://folding.bmc.uu.se
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