[MMTK] CalphaForceField

Vasisht R. Tadigotla vasisht at eden.rutgers.edu
Fri Jul 22 18:29:38 CEST 2005


Hi,

I'm using the CalphaForceField to compute normal modes. When I load a PDB
file using the following code :

universe = InfiniteUniverse(CalphaForceField(1,1))
universe.protein=Protein('file.pdb',model=calpha)

the number of calpha atoms in the loaded protein are different from the
number of atoms in the actual pdb file. In this case the number of calpha
atoms in the PDB file are 3849 and the number of calpha atoms in the
loaded protein are 3526. Is there any reason why this is happening ? Am I
somehow loading the file incorrectly ?

Thanks,

Vasisht



More information about the mmtk mailing list