Amber Developers and users,
I'm trying to generate missing parameters for a non-standard carbohydrate. I have obtained the RESP charges using RED server and a mol2 file with GLYCAM atom types. Whenever I try to use parmchk2, it sources the PARMCHK2.dat. Is there any way to use the GLYCAM_06j.dat for this purpose?
I have copied the warning message for further clarification.
Thank you
Senal Dinuka
Warning: Atom type (CG) is not in PARMCHK.DAT; using default values
for improper_flag [0], group_id [0], and equivalent_flag [0].
It is recommended to add the new atom type (CG) to PARMCHK.DAT.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Oct 13 2020 - 13:00:02 PDT
