Re: [AMBER] saveamberparm

From: David A Case <>
Date: Mon, 17 Aug 2015 11:34:19 -0400

On Mon, Aug 17, 2015, mohammad r wrote:

> When I neutralize my solvate box ( with addionsrand command:
> "addIonsRand mol CL 0") then try to get the topology and coordinate
> files with saveamberparm command, I receive this error:> saveamberparm
> mol coor.crd
> Checking Unit.
> Building topology.
> Building atom parameters.
> For atom: .R<CL 8306>.A<CL 1> Could not find vdW (or other) parameters
> for type: Cl-

Please see section 3.9 ("Ions") in the Amber 2015 Reference Manual, especially
the note at the very end of that section. You probably need to load the
appropriate frcmod file fo the ion/water model you are using.

...good luck...dac

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Received on Mon Aug 17 2015 - 09:00:05 PDT
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