[gmx-users] Error of H-bond

David van der Spoel spoel at xray.bmc.uu.se
Sun Oct 11 08:34:51 CEST 2015

On 10/10/15 13:50, m g wrote:
> Dear David van der Spoel,which plot must be check? I used this command "g_hbond -f md.xtc -s md.tpr -n index.ndx -num DrugwithWater.xvg" and i get a data point in the end of run of this command and i used it for report. I want to report this data point and it's error. what must i do?many thanks,
> Mrs. Mahdavi
Check them all and use your judgment.

David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se

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