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
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