[gmx-users] H bonds energy

[David]

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
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
-- 
David.
________________________________________________________________________
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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++