[gmx-users] g_saltbr speed

Justin A. Lemkul jalemkul at vt.edu
Thu Jul 12 14:32:56 CEST 2012

On 7/12/12 8:31 AM, Kavyashree M wrote:
> Ok may be i need to specify an index file. I will try that.
> And regarding the WARNING: this .tpx file is not fully functional.
> I hope it will work fine enough to finish g_saltbr calculation?

In principle, you should be prompted to choose a default group, but you can also 
use a custom index group as needed.

The warning message is intended to note that the .tpr file you produce will not 
likely work for running an actual simulation.  It should be fine for analysis.



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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