[gmx-users] pulling in opposite direction

Justin Lemkul jalemkul at vt.edu
Thu Oct 4 15:17:30 CEST 2018

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

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


More information about the gromacs.org_gmx-users mailing list