[gmx-users] ffamber_chcl3.gro

[Mauro Puppett]

So this means that for me it's impossible to run the simulation of a phenol in a box of chloroform with ffamber99?

> Date: Tue, 4 Dec 2007 12:01:01 -0500
> From: jalemkul at vt.edu
> To: gmx-users at gromacs.org
> Subject: RE: [gmx-users] ffamber_chcl3.gro
> 
> Quoting Mauro Puppett <esagono at hotmail.com>:
> 
> >
> > Hi all,
> > I have to run a simulation in a box of chloroform.
> > I've found a chcl3.itp and a chcl3_box.gro files but I'm using ffamber99
> > forcefield.
> > Is it possible to modify someway the two files above? Where can I find the
> > informations to do that?
> 
> http://wiki.gromacs.org/index.php/Parameterization
> 
> > Thanks in advance
> >
> >
> > _________________________________________________________________
> > Scarica GRATIS le emoticon della tua squadra del cuore e il calendario di
> > serie A!
> >
> http://www.emoticons-livemessenger.com/pages/msnitcalcio/index.htm_______________________________________________
> > 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/
> 
> ========================================
> _______________________________________________
> 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

_________________________________________________________________
Organizza le tue foto e condividile con i tuoi amici con Raccolta foto di Windows Live!
http://www.windowslive.it
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20071204/4ef24921/attachment.html>