Re: [AMBER] setMolecules failed

From: David A Case <david.case.rutgers.edu>
Date: Tue, 7 Jun 2016 10:14:34 +0200

On Mon, Jun 06, 2016, Damiano Spadoni wrote:
>
> I used the .pdb file of a protein surrounded by 300 oxygen molecules
> to feed in xleap,

Does the PDB file have TER cards between each of the oxygen molecules?
If not, give that a try.

....dac


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Received on Tue Jun 07 2016 - 01:30:04 PDT
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