[gmx-developers] Implementation of H-bond analysis

[Anton Feenstra]

Erik Marklund wrote:
> Hi,
> 
> I second that. What you intend to do sounds much easier to implement in 
> g_hbond.

Yes, exactly my point. If you need 'more frequent H-bond analysis', just 
write more frames to your trajectory and use g_hbond (100 steps is .2 
ps). No use in burdening mdrun with this.

Unless, of course, Emanual really want to add some sort of interaction 
to the H-bonds. Emanuel can you clarify this?


-- 
Groetjes,

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