Re: [gmx-users] pairs interactions

Well ... the answer is yes: pairs interactions are scaled by if epsilon different than 1.0 is defined in the mdp file ... but easier to fix that the shift/switch thingy ... Another point (more scary) is that using fudge LJ = 0.0 does not turn off the pairs LJ interactions; fudge QQ does for elec

[gmx-users] pairs interactions

Dears, One questions about pair interaction. I mean the one defined in the topology files under the [ pairs ]. They interaction with plain electrostatic, meaning without shift, switch function applied to it. If it was possible to change this, it would be pretty nice, unless there are specific u