Hi Everyone,
After a pdb was loaded to leap in order to set up a pmemd run for an RNA+protein system, saveamberparm failed due to the unperturbed charge of the unit is not integral, for example, the charge may be -14.5 or 30.6 etc. Could you please tell me how to get rid of the problem.
Thank you!
Wen
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jul 13 2017 - 12:00:02 PDT
