Hi,
On Fri, Apr 17, 2020 at 03:38:41PM -0300, Hector A. Baldoni wrote:
> tleap from the Ambertools19 package warns of a gap between residuals but
> does not print the number of residuals between which the gap occurs. It
> prints the warning as follows:
>
> Checking Unit.
>
> /home2/SOFT/amber18/bin/teLeap: Warning!
> There is a bond of 7.501456 angstroms between:
>
> /home2/SOFT/amber18/bin/teLeap: Warning!
> There is a bond of 7.992018 angstroms between:
>
> etc.
>
> /home2/SOFT/amber18/bin/teLeap: Warning!
> The unperturbed charge of the unit (-5.000000) is not zero.
Thanks for the report. Please send verbose and verbatim details
so that we can reproduce the issue.
scott
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Received on Fri Apr 17 2020 - 12:00:03 PDT
