[gmx-users] FEP with bond formation, pair problem

[Berk Hess]

Hi,

There are automatically different, since they are based on the A and B state charges
and the A and B state atom types.

Berk

> Date: Thu, 19 Nov 2009 16:15:52 +0100
> From: jochen at xray.bmc.uu.se
> To: gmx-users at gromacs.org
> Subject: [gmx-users] FEP with bond formation, pair problem
> 
> Hi,
> 
> how can I use different coulomb 1-4 interactions in the A and B state. 
> The Manual just says
> 
> [ pairs ] : LJ and Coulomb 1-4 interactions
> 
> but, I far as I could see, did not give an example how the coulomb 1-4 
> interaction can be explicitly given.
> 
> Thanks a lot for any help,
> 
> Jochen
> 
> 
> -- 
> ---------------------------------------------------
> Dr. Jochen Hub
> Molecular Biophysics group
> Dept. of Cell & Molecular Biology
> Uppsala University. Box 596, 75124 Uppsala, Sweden.
> Phone: +46-18-4714451 Fax: +46-18-511755
> ---------------------------------------------------
> 
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