Hi There,
I am trying to run MMPBSA.py for a protein-ligand complex and getting an
error for an Iodine atom present in the ligand(Pl see below). I found
similar error reports for other ions in the mailing list, however, they are
several years old. I am using version15. Can somebody help me find a
solution?
Beginning GB calculations with /cm/shared/apps/amber16/bin/sander
calculating complex contribution...
bad atom type: I
bad atom type: I
Thanks,
Subha
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jan 10 2019 - 11:30:02 PST
