[gmx-users] g_hbond gromacs 3.2

[Ilya Chorny]

Thanks David !!!

The -noda option does not seem to be working in 
g_hbond.

Ilya


-----Original Message-----
From: gmx-users-admin at gromacs.org [mailto:gmx-users-admin at gromacs.org]
On Behalf Of David
Sent: Monday, February 23, 2004 12:43 PM
To: gmx-users at gromacs.org
Subject: RE: [gmx-users] g_hbond gromacs 3.2

On Mon, 2004-02-23 at 22:32, Ilya Chorny wrote:
> I figured out why my Booleans were not working.
> 
>  
> 
> g_analyze -nosubav 
> 
> g_hbond -noda
> 
>  
> 
>  
> 
> It wasn't obvious to me. Sorry for the extra postings. The 
> 
> g_analyze -ee seems to still be a problem.

this will be fixed in the next point release, 3.2.1
> 
>  
> 
> Thanks
> 
>  
> 
> Ilya
> 
>  
> 
>  
> 
> -----Original Message-----
> From: gmx-users-admin at gromacs.org [mailto:gmx-users-admin at gromacs.org]
> On Behalf Of Ilya Chorny
> Sent: Monday, February 23, 2004 1:23 PM
> To: gmx-users at gromacs.org
> Subject: [gmx-users] g_hbond gromacs 3.2
> 
>  
> 
>  
> 
>  
> 
>
------------------------------------------------------------------------
----------------------
> 
> Dr. Ilya Chorny                                           Department
> of Pharmaceutical Chemistry
> 
> DOE/SLOAN Postdoctoral Researcher       University of California, San
> Francisco
> 
> Tel: (415)-476-6875                                  600 16th st
> 
> Fax: (415)502-4222                                   San Francisco, CA
> 94107
> 
> Cell: (408)887-8496
> 
>                                   Email: ichorny at maxwell.ucsf.edu
> 
>
------------------------------------------------------------------------
----------------------
> 
> Hello 
> 
>                         
> 
>                         g_hbond does not allow me to set -da value to
> FALSE
> 
>  
> 
>                         i.e  g_hbond -da no    does not work
> 
>                         
> 
>                         All the postings I have made in the last few
> days have been in regards to 3.2.
> 
>  
> 
>                         Recap:
> 
>                         g_analyze -subav no - doesn't work
> 
>                         g_analyze -ee  -- Segmentation Fault
> 
>  
> 
>  
> 
>                         Thanks
> 
>  
> 
>                         Ilya
> 
>             
> 
>
------------------------------------------------------------------------
----------------------
> 
> Dr. Ilya Chorny                                           Department
> of Pharmaceutical Chemistry
> 
> DOE/SLOAN Postdoctoral Researcher       University of California, San
> Francisco
> 
> Tel: (415)-476-6875                                  600 16th st
> 
> Fax: (415)502-4222                                   San Francisco, CA
> 94107
> 
> Cell: (408)887-8496
> 
>                                   Email: ichorny at maxwell.ucsf.edu
> 
>
------------------------------------------------------------------------
----------------------
> 
>  
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. 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://xray.bmc.uu.se/~spoel
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