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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Received on Wed Aug 19 2009 - 19:38:33 PDT
