[gmx-users] kinetic energy separately from each energy groups

Vitaly Chaban vvchaban at gmail.com
Tue Sep 30 15:04:07 CEST 2008


Hi,

Is there a possibility to calculate the kinetic energy separately for
the each specified (energy) groups?

I have not found such option in g_energy. One only can treat the total
Kinetic-En. Is it anywhere else or not?


Thanks for suggestions.
Vitaly



-- 
Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
skype: vvchaban
tel.: +38-097-8259698




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