[gmx-users] How to Run Energy Minimisation

Justin A. Lemkul jalemkul at vt.edu
Thu Jul 30 01:49:40 CEST 2009

Nancy wrote:
> Hello,
> I am trying to run energy minimisation on a lipid bilayer (downloaded 
> from: http://moose.bio.ucalgary.ca/files/dppc128.pdb).  I inflated the 
> bilayer using "InflateGRO" however, when I try to run the minimisation, 
> it seems to display the un-inflated bilayer.  Please advise.

Without seeing the command lines that you're issuing, we can only assume you are 
doing something wrong.


> Thank you.
> Nancy
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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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