Re: [AMBER] TIP4PD water box error

From: David A Case <>
Date: Sun, 2 Jan 2022 13:08:23 -0500

On Sun, Dec 26, 2021, Alexander Izvorski wrote:

>I tried using a TIP4PD water box instead of the more
>usual TIP3P, and I just can't get it to work.
>Error: For atom (.R<WAT 62>.A<H1 2>) could not find vdW (or other)
>parameters for type (HW)

For some reason, the frcmod.tip4pd file doesn't have MASS and VDW parameters
for HW. (Probably because, in the old days, these were picked up from a
protein force field, and no one noticed.)

I think you can copy the HW info from frcmod.tip4pew into frcmod.tip4pd.
Check that HW is indeed supposed to have zero VDW parameters in tip4pd.


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Received on Sun Jan 02 2022 - 10:30:02 PST
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