[gmx-users] g_hbond problem

[Zhenting Gao]

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.

  

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