Hello Rajbinder Kaur Virk-- > > I intend to perform simulated annealing of 100 random initial > structures by using the xplor legacy interface. I wish to use multiple > threads as it would help me to perform simulations in less time. I > have acess to workstation having 2 processor system, 6 core each along > with 12 threads each. I have gone through the Parallel.txt file > available with the software, however I am still not being able to use > multiple threads. >
Thread-level parallelization is not available for the old XPLOR terms. However, old XPLOR scripts can be retrofitted to use the parallelism inherent in the computation of multiple independent structures. An example of this use can be found in this file in the distribution: eginput/gb1_rdc/sa_tmv_bice_rgyr.inp I hope this helps-- Charles ######################################################################## To unsubscribe from the XPLOR-NIH list, click the following link: http://list.nih.gov/cgi-bin/wa.exe?SUBED1=XPLOR-NIH&A=1
