[gmx-users] Bond energy doesn't appear in gromacs rerun
jalemkul at vt.edu
Wed Aug 7 20:11:50 CEST 2013
On 8/7/13 2:09 PM, Golshan Hejazi wrote:
> Hello everyone,
> I am doing single point energy calculation for a certain configuration of a molecule using rerun option of gromacs. But in the energy output, there is no Energy term related to BOND.
> Do you know why?
Are you using constraints?
Justin A. Lemkul, Ph.D.
Department of Pharmaceutical Sciences
School of Pharmacy
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jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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