[gmx-users] LJ potential

[Florian Dommert]

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On 08/24/2010 02:27 PM, Sai Pooja wrote:
> Hi,
> 
> If there are n types of atoms in protein, how does one specify:
> 1) Different types of LJ non-bonded interactions for different pairs?
> 2) Modified Coloumb(by a pre-multiplier) interactions for different pairs?
> 
> Pooja
> 
> 

Hi,

 this can be defined in the top file. Take a look at the manual
regarding the force field and different function types for the nonbonded
interactions. This will surely help.

/Flo

- -- 
Florian Dommert
Dipl.-Phys.

Institute for Computational Physics

University Stuttgart

Pfaffenwaldring 27
70569 Stuttgart

Phone: +49(0)711/685-6-3613
Fax:   +49-(0)711/685-6-3658

EMail: dommert at icp.uni-stuttgart.de
Home: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert
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