[gmx-users] simulation in DMSO

[Justin A. Lemkul]

prasun kumar wrote:
> dear users,
> 
> I am trying to do a simulation of protein in DMSO,but failed to run it.I 
> am getting error while running grompp.
> I got one suggestion of modifying dmso.itp file so that it looks like 
> methanol.itp.That modification is related to the addition of mass and 
> charge of dmso
> but I am not getting any clue how to do.
> please help me in overcoming this problem.

Without seeing your dmso.itp file or the actual error message, it is impossible 
to give any useful advice.

-Justin

> 
> thanx in advance
> 
> -- 
> PRASUN (ASHOKA)
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> 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

-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================