[gmx-users] g_sgangle error
David van der Spoel
spoel at xray.bmc.uu.se
Sun Mar 27 22:43:47 CEST 2016
On 27/03/16 20:41, pratibha kapoor wrote:
> Hi all,
> I would like to calculate angle between two phenyl rings. For this, I have
> created an index file specifying three atoms of ring in order to define a
> plane. And then I have used g_sgangle -oa but I am getting following error:
> Unknown ePBC=8 in ePBC2npbcdim
> Kindly help me in solving the issue.
Please upload an issue at http://redmine.gromacs.org and upload input
files necessary to reproduce the problem. Please specify the gromacs
version. You can assign the issue to me.
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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