[gmx-users] pulling in opposite direction
rockinbhu at gmail.com
Fri Oct 5 06:50:56 CEST 2018
Dear Justin thanks for ur reply.
Which means in this case,both group will act as a reference group for each
Then now my question is, why without using two biasing potential, in case
of using one
biasing potential for two group, If I do not constrained reference group
then it automatically
move in the opposite direction w.r.t pulling group.
On Thu, Oct 4, 2018 at 6:48 PM Justin Lemkul <jalemkul at vt.edu> wrote:
> On 10/4/18 3:09 AM, Rakesh Mishra wrote:
> > Dear all.
> > How it is possible to pull reference group as well as pull group using
> > gromacs protocol simultaneously in opposite direction using umbrella
> > protocol
> > of pulling. So far non of the Gromacs expertise have given the answer of
> > this question. Hoping from response
> If you want to pull two things in opposite directions, you need two
> biasing potentials.
> Justin A. Lemkul, Ph.D.
> Assistant Professor
> Virginia Tech Department of Biochemistry
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