[gmx-users] Unable to add ions...
sharada at ccmb.res.in
Tue Oct 10 12:22:33 CEST 2006
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
> Go and look in the G43a1 files and find out.
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