[gmx-users] g_hbond problem
Zhenting Gao
zhentg at 163.com
Wed Mar 9 04:23:16 CET 2005
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
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