Dear all,
I used g_hbond to count the number of hydrogen bonds
between two molecules. The result was here:
# g_hbond_mpi is part of G R O M A C S:
#
# GROningen MAchine for Chemical Simulation
#
@ title "Hydrogen Bonds"
@ xaxis label "Time"
@ yaxis label "Number"
@TYPE xy
@ view 0.15, 0.15, 0.75, 0.85
@ legend on
@ legend box on
@ legend loctype view
@ legend 0.78, 0.8
@ legend length 2
@ s0 legend "Hydrogen bonds"
@ s1 legend "Pairs within 0.35 nm"
0 15 8
2 12 11
4 12 14
6 16 8
8 14 15
10 15 9
12 16 6
14 12 13
16 13 5
18 11 11
WHY the number in third column sometimes smaller than
the number in second column?
Best regards,
=========================================
Dechang Li, PhD Candidate
Department of Engineering Mechanics
Tsinghua University
Beijing 100084
PR China
Tel: +86-10-62773779(O)
Email: [EMAIL PROTECTED]
=========================================
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