Re: [AMBER] MCPB Tutorial Ligand missing vdW and other parameters

From: David A Case via AMBER <amber.ambermd.org>
Date: Tue, 1 Apr 2025 08:49:54 -0600

On Mon, Mar 31, 2025, Hantz, Eric via AMBER wrote:

>For atom (.R<LG1 232>.A<P1 1>) could not find vdW (or other) parameters for type (p5)

This is not my speciality, but make sure that the tleap.in file is loading
the gaff2 parameters. That is where parameters for lower-case atoms types
like p5 should be coming from.

....dac

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Received on Tue Apr 01 2025 - 08:00:02 PDT
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