[gmx-users] oplsaa force field

Shine A shine.a at iisertvm.ac.in
Mon Dec 17 05:55:18 CET 2012


Sir,

     I studying the dynamics of membrane proteins.First I did a 20 ns
simulation using GROMOS96 53a6.This force field cause some problems in the
helical part of the protein.Now I am trying to do the same simulation with
opls-aa force field.Is the changes I should have to do in ffnonbonded.itp
and ffbonded,itp is same as in the justin manual?



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