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