[gmx-users] RE: Is there any option to output interaction energy based on energy groups?

Vitaly Chaban vvchaban at gmail.com
Tue Jan 20 23:11:41 CET 2009

>       Is there any option to output  total  interaction energy
> (without *internal
> energy*)  based on energy groups?

I don't know such. But it seems very easy to sum the terms which are

Vitaly V. Chaban, Ph.D.(ABD)
School of Chemistry
V.N. Karazin Kharkiv National University
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua,vvchaban at gmail.com
skype: vvchaban, mob.: +38-097-8259698

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