[gmx-users] umbrella sampling tutorial
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.
again. It answers both of those questions.
For further explanation about the use of groups.txt, please read
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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