[gmx-users] Problem with Position Restraints (before running SMD)!

Justin A. Lemkul jalemkul at vt.edu
Fri Jan 20 19:55:59 CET 2012

Talal E. AlOtaibi wrote:
> Thank you Justin,
> It works well with freezing option.
> Last question, Can I freeze points before doing the energy minimization?

You can't freeze before EM (because you aren't actually running anything), but 
during EM, yes.



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


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