[gmx-users] Hidrogen bond force

[Anton Feenstra]

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                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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