[gmx-users] g_sgangle problem
David van der Spoel
spoel at xray.bmc.uu.se
Sun Jul 29 23:34:25 CEST 2012
On 2012-07-28 11:28, yousef nademi wrote:
> hi gromacs users and especially Dr. Justine
> in using the g_sgangle i have to define index file contain multiple of two defining all the P and N atoms but after executing the g_sgangle i get the message:something wrong with contents of index file
> after defining the one p atom and 1 n atom then there was no problem
> should i define all the index file to 2 group part and then average from the rezult
> or should i do something in index file that can solve the problem
> best regards
> yousef nademi
g_sgangle -h. Please read carefully.
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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