Hi,
leila karami wrote:
I want to do MD simulation by gromacs but there are following force
fields in gromacs program: ffG43a1- ffG43a2 - ffG43a3 - ffG43a5 -
ffG43a6 - ffOPLS-AA - ffgmx - ffgmx2 - ffencads - ffencadv. How can I
use other force fields such as AMBER or CHARMM.
For AMBER, download the ffamber ports:
http://www.gromacs.org/Documentation/Terminology/Force_Fields/AMBER
CHARMM is not yet officially supported, but will be in a future
release (4.1?)
Yet that's correct. If you want to try out the beta version of the ff
send me an e-mail Leila.
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Pär Bjelkmar, PhD student
Stockholm Center for Biomembrane Research,
Stockholm Bioinformatics Center,
Department of Biochemistry and Biophysics,
Stockholm University
Tel: +46-8-16 2746
Fax: +46-8-15 3679
E-mail: [email protected]
Home: http://www.dbb.su.se/User:Bjelkmar
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