Dear AMBER
I have calculated the charge of my active site which contains on Zinc ion, three histidine and my inhibitor, using R.E.D. resp charge. and then assigned the new generated charged for the Imdiazol rings of His. But when I load my PDB file and check the charge of my system I found it is -1.8089 (which should be -1 only). this difference returns to the new calculated charges for my active site.
In this case, should I add only ONE Na+ ion, shouldn't I?
I would appreciate any comment on this situation.
Thanks in advance
S. Bill
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Aug 19 2009 - 22:28:53 PDT
