[gmx-users] 1-4 interactions
apaluch at nd.edu
Sat Sep 26 18:04:09 CEST 2009
You can either specify this explicitly or use the fudge LJ and fudge
q headers in your topology file. See the manual for details.
On Sep 26, 2009, at 1:51 AM, Vitaly V. Chaban wrote:
> Is it possible in gromacs to make 1-4 interaction energy reduced as
> compared to the intermolecular interations between the same centers?
> In other words, I want the INTRAmolecular interaction A-B to be by
> some factor smaller than INTERmolecular A-B interactions in the box.
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