[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.

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