[AMBER] Probable bug in tleap.

From: Hector A. Baldoni <hbaldoni.unsl.edu.ar>
Date: Fri, 17 Apr 2020 15:38:41 -0300 (ARGSL-ST)

Dear Amber team,

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:


/home2/SOFT/amber18/bin/teLeap: Warning!
The unperturbed charge of the unit (-5.000000) is not zero.

I think it would be a bug.

 Dr. Hector A. Baldoni
 Profesor Titular (FQByF-UNSL)
 Investigador Adjunto (IMASL-CONICET)
 Area de Quimica General e Inorganica
 Universidad Nacional de San Luis
 Chacabuco 917 (D5700BWS)
 San Luis - Argentina
 hbaldoni at unsl dot edu dot ar
 Tel.:+54-(0)266-4520300 ext. 6157

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Received on Fri Apr 17 2020 - 12:00:01 PDT
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