Re: [AMBER] multiple residues and solvatebox command

From: David A Case <>
Date: Fri, 2 Dec 2016 07:56:10 -0500

On Fri, Dec 02, 2016, Azade Yazdan Yar wrote:

> source leaprc.gaff
> source leaprc.water.spce
> loadamberparams frcmod.spce

> For atom: .R<WAT 3406>.A<H2 3> Could not find vdW (or other) parameters for
> type: HW

This is a bug in the water frcmod files, which cannot be used unless a
"standard" (non-gaff) leaprc file is also loaded. We will try to get an
update out soon, but for now use this workaround: add a "source
leaprc.protein.ff14SB" line at the beginning of your file. That file
has the mass and vdW parameters for the HW atom type.


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Received on Fri Dec 02 2016 - 05:00:02 PST
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