[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.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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