[gmx-users] 1,4 electrostatic interactions

Jee E Rim jrim at stanford.edu
Fri Apr 29 19:46:29 CEST 2005


Is there a way to scale the 1,4 electrostatic interactions for a certain set
of atoms only? The [pairtypes] section is only for 1,4 LJ interactions,

Another question is, if I have certain pairs defined in the [pairtypes]
section, and I set FudgeQQ to be say, 0.5, will the 1,4 electrostatic
interactions between the pairs defined in [pairtypes] also be scaled by 0.5,
or does it only apply to the pairs that are generated by gromacs?

Thanks in advance,

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