[gmx-users] g_hbond gromacs 3.2
David
spoel at xray.bmc.uu.se
Tue Feb 24 01:42:00 CET 2004
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
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> 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
>
>
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> 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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