Hi,
I am kinda confused about the charge part in my prmtop file. It has five columns, and some of them obviously refer to O and H masses after protein solvation.
I was just trying to change the charges antechamber created. Is there some document that explains the details of prmtop file, I cannot find any explicit info in amber manual.
Thanks,
Yao
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Oct 26 2011 - 17:30:03 PDT
