[gmx-users] RE: Have read the manual => How to calculate dihedral

Vitaly Chaban vvchaban at gmail.com
Wed Jul 2 12:45:30 CEST 2008

> what does the file angle.ndx mean?
> what are the three groups represent ?
This represents the atom numbers for your calculation.

Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svobody sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
skype: vvchaban

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