[gmx-users] The using both Buckingham and Lennard Jones typepotentials
Berk Hess
gmx3 at hotmail.com
Tue May 25 11:38:51 CEST 2004
>From: "Pavan K. Naicker" <pavanandan.k.naicker at vanderbilt.edu>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>Subject: Re: [gmx-users] The using both Buckingham and Lennard Jones
>typepotentials
>Date: Mon, 24 May 2004 13:17:35 -0500
>
>I would like to make use of both a LJ potential as well as a Buckingham
>potential in a simulation. Is this possible and has any found a way of
>doing this.
It is not directly possible.
But if you do not have too many parameter combinations you could use
the user tables.
Berk.
_________________________________________________________________
Protect your PC - get McAfee.com VirusScan Online
http://clinic.mcafee.com/clinic/ibuy/campaign.asp?cid=3963
More information about the gromacs.org_gmx-users
mailing list