[gmx-developers] other atoms in pyrrole rings

[Lakshmi Padmavathi]

Dear gromacs developers,

    Thank you for suggesting me to use ffoplssa forcefield.  In ffoplassa 
forcefield there is no atom type specifically for porphyrine ring (for ex:CHE 
type in ffgmx). But there are atom types for pyrrole rings. As the porphyrine 
came from pyrrole ring, I would like to use pyrrole atom types. For pyrrole 
atoms types also there are only two types are mentioned (other than 
hydrogens), N , C2 and C3. In atom types there is no information about the C1 
and c4 of pyrrole ring . Can i use normal alkane and alkene type carbons 
types for c4 and c1.

i hope you can help me.
thank you very much

sincerely,