[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   |
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|             | Feenstra at few.vu.nl - www.few.vu.nl/~feenstra/         |
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