[gmx-users] g_hbond - which atoms?

[Anton Feenstra]

David van der Spoel wrote:

> On Tue, 2004-09-21 at 12:20, Samantha Kaye wrote:
> 
>>How do I get g_hbond (or something else if I'm using the wrong program)
>>to tell me which atoms are forming each h-bond? Is that possible?
> 
> Yes, you can print out an index file with flag -hbn

The order of the list in the index file, corresponds to the ordering in
the other output as well (e.g., the '-hbm' .xpm contact map). Actually,
the amount and complexity of (dynamic) data on H-bonds is staggering,
and if there are any suggestions on how to improve the output of g_hbond,
I'd be happy to here them!


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|(   |   )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands   |
| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at few.vu.nl - www.few.vu.nl/~feenstra/         |
|             | "If You See Me Getting High, Knock Me Down" (RHCP)    |
|_____________|_______________________________________________________|