[gmx-users] Extracting potential energy of protein units
David van der Spoel
spoel at xray.bmc.uu.se
Thu Oct 14 21:56:22 CEST 2010
On 2010-10-14 21.51, Jyoti Mahalik wrote:
> Using g_energy I can extract the energy of the whole system. But I want
> to extract the energy (potential energy) of the protein units in my
> system. Is it possible to do it in GROMACS or any other application?
How would you define that?
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
spoel at xray.bmc.uu.se http://folding.bmc.uu.se
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