[gmx-users] How to edit the specbond.dat file?

xiaobing tian xiaobingtian at yahoo.com
Mon Mar 29 23:43:01 CEST 2004

Hi David,

I appreciated your replies.
The following is the specbond.dat file. I don't know where I should edit the tolerance.

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


Xiaobing Tian  Ph.D.
Department of Microbiology and Immunology
Thomas Jefferson University
1025 Walnut St., Suite 420
Philadelphia,  PA19107
Phone: 215-955-1364 (Lab)

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