[gmx-users] Hidrogen bond force

Anton Feenstra feenstra at chem.vu.nl
Tue Aug 12 09:02:10 CEST 2003


Marco Ceruso wrote:
> Hi-
> The hydrogen bond interaction is not explicitly treated in gromacs, it
> results from
> both van der Waals and Coulombic interactions.

Add a distance restraint, or a (harmonic) bond to the atoms concerned.


-- 
Groetjes,

Anton
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|  _   _  ___,| K. Anton Feenstra                                     |
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