[gmx-users] Sulfate parameters anyone ?

Justin A. Lemkul jalemkul at vt.edu
Wed Nov 7 20:56:31 CET 2007

Check the .rtp file for your force field.  If present, it will likely be listed
as something like SO4 or SO42-.


Quoting maria goranovic <mariagoranovic at gmail.com>:

> Sulfate ions are not present in the ions.itp file in the force field in
> gromacs
> Someone must have constructed parameters for these ions before ? If
> so, could you please share them ?
> Thank you
> -Maria
> --
> Maria G.
> Technical University of Denmark
> Copenhagen
> _______________________________________________
> 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


More information about the gromacs.org_gmx-users mailing list