Hi,
A question from a beginner:
I would like to know what the information in the V999??? files
means and how its is correlated to the information given in the .log
files. It seams to me that the tables in the V999??? files does
not completely correspond to the 31 classes of the restraint violations
table in the .log file. Is there a difference in the order of columns??
Fx. there is a zero for the LJ 6-12 potential, but in the V999?? file
there are some numbers. The zero-values in the table are not matched
by the empty columns in the V999?? files.
thanks for any help,
aldo
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aldo jongejan
Kluyver Laboratorium for Biotechnology
Technical University of Delft
Julianalaan 67 tlf: +31 (0)15 2782336
2628 BC Delft fax: +31 (0)15 2782355
The Netherlands e-mail:
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