Hello,
On Mon, May 10, 2010 at 11:25 AM, Hector A. Baldoni <hbaldoni.unsl.edu.ar>wrote:
> Dear AMBER users,
>
> It is possible to disabled the 1-4 interaction for a selected group or
> atoms type ? I have a four atoms "coarse grained" cyclic structure and
> atoms 1-4 should not see each other.
>
What version of AMBER are you trying to use? AMBER 11 allows for variable
1-4 scaling, so you may be able to accomplish that with the AMBER 11 version
(though you'll have to make new atom types and specify those 1-4
interactions as having very very large divisors so their effect becomes
negligible). See the documentation regarding that.
For earlier versions of amber, I do not think this is possible.
Good luck!
Jason
>
>
> Many thank in advance
>
>
> ---------------------------------
> Dr. Hector A. Baldoni
> Departamento de Quimica
> Universidad Nacional de San Luis
> Chacabuco 917 (D5700BWS)
> San Luis - Argentina
> hbaldoni at unsl.edu.ar
> Tel.:+54-(0)2652-423789 ext. 157
> ----------------------------------
> TO ERR IS HUMAN - AND TO BLAME IT ON A COMPUTER IS EVEN MORE SO.
>
>
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Mon May 10 2010 - 10:00:03 PDT
