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:
etc.
/home2/SOFT/amber18/bin/teLeap: Warning!
The unperturbed charge of the unit (-5.000000) is not zero.
I think it would be a bug.
Cheers,
Hector.
--------------------------------------
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
