Fix AWH test accuracy

[gromacs.git] / share / top / specbond.dat

8
CYS     SG      1       CYS     SG      1       0.2     CYS2    CYS2
CYS     SG      1       HEM     FE      2       0.25    CYS2    HEME
CYS     SG      1       HEM     CAB     1       0.18    CYS2    HEME
CYS     SG      1       HEM     CAC     1       0.18    CYS2    HEME
HIS     NE2     1       HEM     FE      1       0.2     HIS1    HEME
MET     SD      1       HEM     FE      1       0.24    MET     HEME
CO      C       1       HEME    FE      1       0.19    CO      HEME
CYM     SG      1       CYM     SG      1       0.2     CYS2    CYS2