[gmx-users] Pull code
nedomacho at gmail.com
Thu Apr 23 01:47:14 CEST 2015
The CNT group is actually very strongly restrained, not the entire atomic
population, but the edges. So, from inspecting my code, everything looks
> >Not really. The constraint option keeps a rigid constraint between the
> two groups. The "umbrella" keyword specifies a >harmonic potential, whose
> strength is tunable. Otherwise, the two methods are identical.
> >If one group needs to stay in place, it needs position restraints applied
> to it. If the desired separation is not occurring, >either a larger spring
> force constant or a faster pull rate is needed.
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