AMBER Archive (2009)

Subject: [AMBER] MPI error

From: vhakkim boy (
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
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