VMD-L Mailing List
From: Mayne, Christopher G (cmayne2_at_illinois.edu)
Date: Wed Jul 10 2013 - 14:19:40 CDT
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- In reply to: Peterson J: "Error during Water interaction data generation using gaussian following ffTK screencast"
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You are going to have to be a little more specific.
Are you following the screencasts directly?
Are you using a recent version of ffTK available with the latest VMD 1.9.2 alpha release?
Is this a Gaussian error or an ffTK error?
On Jul 10, 2013, at 12:03 PM, Peterson J wrote:
> Hi,
>
> During my water interaction data generation gaussian following the screencast provided for ffTK, I encountered an error for one of the acceptor atoms. The error is the following
>
> Small interatomic distances encountered:
> 68 52 2.76D-01
> Atoms too close.
>
>
> How to solve this error?
>
> Thanks
>
> Peterson
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