Charmm MMFF in parallel?
I have asked this question on the beowulf list but I did not get a result
> from there - so I will try the CCL list.
I am trying to use the MMFF forcefield in Charmm on our Intel/Linux/Redhat
7.1 Cluster. This works well on a single processor but dies when I
attempt to run the same job in parallel. Does anybody know if the MMFF
forcefield is parallelised in Charmm?
David Chalmers Lab: 9903 9110
Victorian College of Pharmacy Fax: 9903 9582
381 Royal Pde, Parkville, Vic 3053 http://synapse.vcp.monash.edu.au