AMBER Archive (2009)

Subject: [AMBER] MPI error

From: vhakkim boy (vhakkim_at_gmail.com)
Date: Wed Jul 29 2009 - 04:44:35 CDT

dear amber users

                I'm having a strange problem running an MPI simulation with
pmemd. When I try to start the calculation it fails with

Bad residue/molecule data in prmtop!
|Residue 260(atoms 4074- 4076) is in multiple molecules.

can any one tell me what is the solution to this proplem
_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber