[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.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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