[gmx-users] force field

Pär Bjelkmar bjelkmar at cbr.su.se
Mon Oct 19 09:16:11 CEST 2009


> 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.

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: bjelkmar at cbr.su.se	
Home: http://www.dbb.su.se/User:Bjelkmar		

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