Tandia, Adama wrote:
Dear ALL:
I have used GMX to study SiO2 in a glassy phase. Is it possible to use
mk_angndx followed by g_angle to have the distribution of the Si-O-Si
angles in the system?
I have tried the following and end up with an empty ange.ndx file:
mk_angndx -s silica.tpr -n angle.ndx -type angle
I would suggest writing a script to make the index. You only have to
supply the atom triplets. The mk_angndx only works with when the exact
angles are in the tpr file.
Regards,
Adama
---------------------------------------------------------
Adama Tandia
Modeling & Simulation
Corning INC
Tel: 607 248 1036
Fax: 607 974 3405
www.corning.com
---------------------------------------------------------
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--
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
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