Hello AMBER users,
I'm using Sander-classic in order to perform a simmulated annealing slow
cool in vacuum on a large number of structures. I notice that although
sander-classic is not parallelized, it suns in eight processors (of
shared memory, I presume). In view of the large number of SAs that I have
to perform, of the way my computer resources are allocated, I'd rather
perform eight SAs simulataneously on one processoreach, than on SA on 8
processors.
I wonnder if this possible, and if yes, how?Is it necessary to recompile
sander-classic, and how?
Thanks in advance,
Joseph Nachman
--------------------------------------------------------------------
Joseph Nachman Department of Biochemistry
nachman_at_hera.med.utoronto.ca University of Toronto
Medical Sciences Building
tel: +1 416 978-5510 Toronto, Ontario M5S 1A8
fax: +1 416 978-8548 Canada
--------------------------------------------------------------------
Received on Tue Jan 23 2001 - 08:32:21 PST
