[gmx-users] umbrella sampling tutorial

Justin Lemkul jalemkul at vt.edu
Mon Apr 29 13:04:30 CEST 2013

On 4/29/13 6:42 AM, Shima Arasteh wrote:
> Dear Justin,
> About Umbrella sampling tutorial, would you please let me know why you created an index file contains of chain A and chain B?
> Also, what's the meaning of 19 and 20 created by a text editoras groups.txt file? I can not understand this.

Please read 
again.  It answers both of those questions.

For further explanation about the use of groups.txt, please read 



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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