[gmx-users] position restrained energy minimization

Justin Lemkul jalemkul at vt.edu
Wed Apr 17 13:41:10 CEST 2013

On 4/17/13 7:39 AM, Wu Chaofu wrote:
> Dear gmxers,
> As is well-known, molecular dynamics can be implemented with position
> restrained in gromacs. Now I want to ensure whether energy minimization can
> also be performed with position restrained. Thanks for any reply to this
> letter.

Sure, try it and see.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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