News & Announcements
CHARMM update to c35b5 (Biowulf)
Date: 19 January 2011 12:01:09From: "Venable, Richard (NIH/NHLBI) [E]" (venabler@NHLBI.NIH.GOV)
I am preparing to make CHARMM release c35b5 available on Biowulf in the near future. Besides the usual bugfixes, the new executables will contain some added features, notably support for the CHARMM General Force Field (CGenFF), and the MCMA code for protein Monte Carlo with minimization and annealing. As for c35b2, a cover script named c35b5 will be made available to support usage of single processor and parallel executables. Related to that, I'm interested in feedback on a couple issues: * Are there other features not available in c35b2 that should be added? * Is anyone still using the legacy 'mpicharmm' cover script? * Would there be any objection to dropping support for versions prior to c35b2? Regards, -- Rick Venable 5635 FL/T906 Membrane Biophysics Section NIH/NHLBI Lab. of Computational Biology Bethesda, MD 20892-9314 U.S.A. (301) 496-1905 venabler AT nhlbi*nih*gov

