[gmx-users] g_hbond problem

[David van der Spoel]

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  
> 2005-3-9  
> ------------------------------------  
> Drug Discovery and Design Center,  
> Shanghai Institute of Materia Medica,  
> Chinese Academy of Science  
> P.R.China  
> http://www.dddc.ac.cn/group/zhentg.htm
> 
> 
> 
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-- 
David.
________________________________________________________________________
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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