[gmx-users] H bonds energy

David spoel at xray.bmc.uu.se
Tue Nov 8 20:53:17 CET 2005

On Tue, 2005-11-08 at 17:30 -0200, Robson Honorato wrote:
> Hi dear all,
> How can I get the H bonds energy from my simulation?
> I get the H bonds as a function time only, but I need the energy.
What do you mean?

There is no specific HBond term in the potential (like in ancient Amber
force fields).

You can study HBond thermodynamics using g_hbond -ac

> Regards,
> Robson Honorato
> Fundamental Chemistry Department
> Federal University of Pernambuco - Brazil
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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