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
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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