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
__________________________________________________________ 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: aldo@dutsh15.tudelft.nl __________________________________________________________
Could be a bug in the program. Please send me the top file you are using and input files.
Azat
aldo jongejan wrote: > > 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 > > __________________________________________________________ > 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: aldo@dutsh15.tudelft.nl > __________________________________________________________
-- - Dr. Azat Badretdinov - The Rockefeller Univ, Box 270 - 1230 York Ave, New York NY 10021, USA - Phone: (212) 327 7206 - Fax: (212) 327 7540 - E-mail: azat@salilab.org - WWW/URL: http://salilab.org/~azat