[gmx-users] g_hbond (Version 3.3 vs Version 3.14)

David van der Spoel spoel at xray.bmc.uu.se
Thu Dec 20 07:22:20 CET 2007

Anil Kumar wrote:
> Dear All,
> I found there is some problem with version 3.3 to g_hbond command. Earlier
> i was using version 3.14, and when i was using g_hbond(v3.14) i found
> correct distribution of hydrogen bond pattern (i.e., n-n+1,n-n+2, n-n+3 so
> on).
> But when i use g_hbond (v3.3) then i found it only gives hydrogen bonds
> between n-n, n-n+1,n-n+2 and rest will have value zero.
> Is it some bug to version 3.3 or am i doing mistake !
Is this 3.3 or a later version?

Which options did you use?

> PS:- since i am not sure whether my 1st request has been posted or not,
> that's why posting again!
You probably turned off delivery of your own emails to yourself.

> thanks in advance.
> Regards,
> anil

David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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