[gmx-users] What does column 'cgnr'(in topology file) mean?
Zhenting Gao
zhentg at 163.com
Wed Nov 3 06:33:10 CET 2004
Hi gmx-users,
[ atoms ]
; nr type resnr resid atom cgnr charge mass
1 OM 1 GDP O2B 1 -0.941 15.9994
2 P 1 GDP PB 1 1.334 30.9738
3 OM 1 GDP O3B 1 -0.975 15.9994
4 OM 1 GDP O1B 1 -1.043 15.9994
5 OA 1 GDP O3A 2 -0.482 15.9994
........
What does column 'cgnr'(in topology file) mean?
How should I assign the number for 'cgnr'?
Thanks.
Yours sincerely,
Zhenting Gao
zhentg at 163.com
2004-11-3
------------------------------------
Drug Discovery and Design Center,
Shanghai Institute of Materia Medica,
Chinese Academy of Science
P.R. China
URL http://www.dddc.ac.cn/group/zhentg.htm
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