[gmx-users] g_hbond problem
David van der Spoel
spoel at xray.bmc.uu.se
Wed Mar 9 08:50:12 CET 2005
On Wed, 2005-03-09 at 11:23 +0800, Zhenting Gao wrote:
> Hi gmx-users ,
> I encountered several problems when using g_hbond from GMX 3.2.1.
> They are:
> 1)if '-sel' is chosen, a segment fault will appear soon after I input the groups; so '-sel' does not work
> 2)with '-hbn', the donor-acceptor pairs is supposed to list in the ndx file, however, only the group name is write without a pair list
> The same problem have been reported many time in the mailling list, hope the problems be sovled soon.
This is a known problem, which will hopefully be fixed in a later
version. CVS version has not fixed it yet.
> Yours sincerely,
> Zhenting Gao
> zhentg at 163.com
> Drug Discovery and Design Center,
> Shanghai Institute of Materia Medica,
> Chinese Academy of Science
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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://xray.bmc.uu.se/~spoel
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