Thanks Mark and Wassenaar for the suggestios . Further I could do the
em , pr and md simulations on my system however
these would not work with coulombtype = PME . But when I remove this
line from the em.mdp ,pr.mdp and md.mdp files my runs went on without
any errors . What is the reason ? anything to do with my system that
PME does not support ? the programs just hang for a long time.
Mark Abraham wrote:
sharada wrote:
Dear Dr. Tsjerk Wassenaar,
Thanks for replying . The force field I am using is ffG43a1.itp in
Gromacs 3.1.4 version and I tried all combinations CL,CL- Cl - cl
etc....
Go and look in the G43a1 files and find out.
Mark
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