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!

Thanks

Venky

_______________________________________________
gmx-users mailing list    gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php

Reply via email to