[gmx-users] Using ffgmx and ffG43a1 topologies

Venky Krishna venky.agas at gmail.com
Sat Apr 7 02:37:14 CEST 2007

Hi gmx-users,

I am trying to simulate a membrane protein covalently attached to a  
spin label in SDS micelle. I have obtained parameters from PRODRG  
server for SDS coordinates which are for use with GROMACS ff  
(ffgmx)... and my spin label forcefield parameters is in GROMOS96  
(ffG43a1). My question is, can I use the GROMACS parameters of SDS  
molecules to directly derive its GROMOS96 params? If so how?

P.S. If anybody has GROMOS96, SDS ff already, please help! You  
contribution will be much appreciated!



-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20070406/7d4eab10/attachment.html>

More information about the gromacs.org_gmx-users mailing list