maria goranovic wrote:
Hi All,
I am a brand new user of GROMACS, and want to run a simulation of a
protein embedded in a large POPC lipid bilayer. I am familiar with MD in
general (have used NAMD before).
It would be very helpful if you could please advise me where to start ?
Specifically:
- which force field versions to use ? I understand there are various
versions within GROMACS ?
- how to setup systems ?
I am sure this must be a fairly common question, and a repository with
the necessary directions probably exists for new users like me ?
Thank you very much in advance for your help,
check out wiki.gromacs.org
search web for peter tieleman and download his membrane input files.
Sincerely,
-Maria
--
Maria G.
Technical University of Denmark
Copenhagen
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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.
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