Hello,
I am using the obconformer-routine with the FF94 forcefield on a very large
number of molecules (around 17 million). Therefore I run the calculations in
parallel. I installed OpenBabel version 2.3.0 for Linux. Although the
calculations seem to work fine for now, I wonder if running sever
lying Open Babel, it is of great
help!
Best regards,
Manuel
--
Dipl. Ing. Manuel Hechinger
RWTH Aachen University
AVT - Aachener Verfahrenstechnik
Process Systems Engineering
D- 52056 Aachen
Tel.: +49 241 80-9 70 06
Fax: +49 241 80-9 23 26
E-Mail: manuel.hechin...@avt.rwth-aachen.de
Inte