[gmx-users] Using both tables and LJ potentials

[Pavan K. Naicker]

Is it possible to use a user defined table together with the standard 
LJ potential in a simulation.
For example in a two component ( 1 + 2) system:
use a table for the 1 - 1 interactions, and a LJ potential for the 1 - 
2 and 2 - 2 interaction.

How is is this done.

Best wishes

Pavan Naicker


On Tuesday, May 25, 2004, at 04:38 AM, Berk Hess wrote:

>
>
>
>> 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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