[gmx-users] Re: Error in Membrane simulations with POPC bilayer

Justin A. Lemkul jalemkul at vt.edu
Fri Jul 13 12:25:13 CEST 2012

On 7/13/12 4:14 AM, J Peterson wrote:
> Hi Justin,
> I have another doubt on the strong posres that was included in the topology
> file. When do we need to remove that position restraint? Does it really
> affect at point of time the system?

The strong restraints are only needed for InflateGRO.  During equilibration, 
position restraints with a normal magnitude are appropriate.



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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