[gmx-users] Re: g_mindist - reg

Justin Lemkul jalemkul at vt.edu
Sat Nov 10 05:00:55 CET 2012

On 11/9/12 9:56 PM, Raj wrote:
> Hi,
> can you suggest me how can i identify or specify the hydrophobic atoms to
> the index files.

One possible approach is to use a .tpr file to select by atom type.  Otherwise a 
combination of residue numbers and chosen atom names will create the correct group.



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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