Reply To: I am a beginner in rosetta software and need help to build params file

[Anonymous]

Thanks for answering me. Now I have my param file good, but my constraint file (.cst) is not good,
When I compile, just after reading my .cst file, Rosetta said me “Segmentation fault”.
For example, if I want to define a binding between my metal and a histidine of my scaffold, is it correct to define like this?:
CST::BEGIN
TEMPLATE:: ATOM_MAP: 1 atom_name: FE
TEMPLATE:: ATOM_MAP: 1 residue4: Fe3p

TEMPLATE:: ATOM_MAP: 2 atom_name: HIS,
TEMPLATE:: ATOM_MAP: 2 residue4: N

CONSTRAINT:: distanceAB: 2.03 0.07 100.00 1 0
CONSTRAINT:: angle_A: 102.67 4.00 100.00 360.00 1
CONSTRAINT:: angle_B: 153.54 4.00 50.00 360.00 1
CONSTRAINT:: torsion_A: -146.7 4.00 50.00 360.00 2
CONSTRAINT:: torsion_B: -8.03 4.00 25.00 180.00 4
CONSTRAINT:: torsion_AB: -6.43 6.00 0.00 180.00 5
CST::END

Thanks again

nais