[gmx-developers] Changes in g_hbond
Anton Feenstra
feenstra at few.vu.nl
Thu Jun 15 15:44:57 CEST 2006
Erik Marklund wrote:
> I just submitted my changes to g_hbond. The following was fixed/changed:
[...]
Great work! I redid g_hbond some years ago, introducing
neighborsearching to improve it's performance (especially for the 3-body
water insertion code...). So, I was probably responsible for some of the
bugs that you fixed - the nframes thing sounds like something I might
have done... ;-(
With all the options, it is darn complicated code, and my compliments to
you for daring to take it on!
--
Groetjes,
Anton
_____________ _______________________________________________________
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | IBIVU/Bioinformatics - Vrije Universiteit Amsterdam |
|( | )| | | De Boelelaan 1083 - 1081A HV Amsterdam - Netherlands |
| \_/ \_/ | | | Tel +31 20 59 87783 - Fax +31 20 59 87653 - Room P440 |
| | Feenstra at few.vu.nl - www.few.vu.nl/~feenstra/ |
| | "If You See Me Getting High, Knock Me Down" (RHCP) |
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