[gmx-users] pulling in opposite direction

[Rakesh Mishra]

Dear Justin thanks for ur reply.
Which means in this case,both group will act as a reference group for each
other.

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
>
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> Justin A. Lemkul, Ph.D.
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-- 

*With Best-Rakesh Kumar Mishra*
*  (RA)CSD  SINP Kolkata, India*

*E-mail - rakesh.mishra at saha.ac.in <rakesh.mishra at saha.ac.in> *

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