[gmx-users] Si-O-Si angle calculation with g_angle
Tandia, Adama
TandiaA at Corning.com
Wed Apr 8 16:16:10 CEST 2009
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
Regards,
Adama
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Adama Tandia
Modeling & Simulation
Corning INC
Tel: 607 248 1036
Fax: 607 974 3405
www.corning.com
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