[gmx-users] Parameters of Gold
David van der Spoel
spoel at xray.bmc.uu.se
Wed Sep 5 07:27:15 CEST 2007
rohit gole wrote:
> Dear Sir,
> Please help me for this problem.
>
> I want to study a protein with a gold surface and I already have the PDB
> file of the surface but when I am running it in Gromacs, its giving an
> fatal error that Gold is not in the residue database. I guess, there are
> no parameters available in the Gromacs. Can someone please tell me what
> all parameters I need to involve?
> I am very new to this software.
> I will appreciate if someone help me out.
>
> Thanks in advance
read literature for gold parameters compatible with protein force fields.
--
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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