[gmx-users] Unable to add ions...

sharada 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 
>> etc....
> Go and look in the G43a1 files and find out.
> Mark
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