[gmx-users] about specbond.dat

Rui Li moonfine at mail.sdu.edu.cn
Sat Apr 21 11:59:47 CEST 2007

Dear all,

In specbond.dat, there are five entries. what meanings they are?
CYS     SG      1       CYS     SG      1       0.2     CYS2    CYS2
CYS     SG      1       HEME    FE      2       0.25    CYS2    HEME
CYS     SG      1       HEME    CAB     1       0.2     CYS2    HEME
CYS     SG      1       HEME    CAC     1       0.2     CYS2    HEME
HIS     NE2     1       HEME    FE      1       0.2     HIS1    HEME

I want to add special bond to specbond.dat.How can I do this , can you give me an

Thanks in advance!

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