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

[sharada]

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
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the www 
> interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>
>