On Sat, Mar 12, 2016, alexander.zlobin wrote:
>
>
> 7: 6935 - 6934 and 8: 6936 - 6934
> Hydrogen atom 6934 appears to have multiple bonds to atoms 6935 and 6934
> which is illegal for SHAKEH.
> 7: 6935 - 6934 and 9: 6937 - 6934
> Hydrogen atom 6934 appears to have multiple bonds to atoms 6935 and 6934
> which is illegal for SHAKEH.
> Exiting due to the presence of inconsistent SHAKEH hydrogen clusters.
>
Can you tell us what program you are running? These don't look like Amber
error messages(?). Or maybe quote more of the output file, so we have some
context.
....dac
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Received on Sat Mar 12 2016 - 09:30:03 PST
