CHARMM c35b5 now available (Biowulf)

The c35b5 release of the CHARMM program for biomolecular simulation is now 
available on Biowulf.  As noted previously, a couple of additions are support forthe CHARMM General Force Field (CGenFF), and a peptide sampling method known as MCMA.

The 'c35b5' command provides a unified means of running calculations using 
the different hardware resources on Biowulf; the same command with different 
arguments is used for single or multiple processor calculations, with options 
for Infiniband, Infinipath, or within node parallel calculations.  Typing

c35b5 -help

will produce a brief syntax listing.  More detailed information can be found 
on the "CHARMM on Biowulf" page located in the Applications section of the 
Biowulf web pages.   That documentation page has been revised, but the new 
c35b5 command functions mostly the same as the existing c35b2 command, 
with one notable exception; all of the parallel usage forms require the input
 file name as the 3rd argument.

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