NAMD Wiki: Namd26Release
Issues with the 2.6 release of NAMD.
For those using the CHARMM31 parameters from http://www.pharmacy.umaryland.edu/faculty/amackere/force_fields.htm please note:
- Most patches now require the use of "regenerate angles dihedrals" (in psfgen) after they are applied. Older versions included the angle and dihedral corrections in the patch. However, when psfgen regenerates angles it will ignore the "auto none" specification for water segments, and hence any water with a "third bond" between the hydrogens will have extra angles generated. The solution is to remove the third bond from the topology file.
- The HSP residue is missing a CMAP term. It can be easily copied from, e.g., HSD.
Warning: 1 processors are overloaded due to high background load.
Mostly harmless. Please see the discussion in NamdWarnings.
Please see the release notes at http://www.ks.uiuc.edu/Research/namd/2.6/notes.html
New Mac OS X binaries are up to 70% faster, but users must download the IBM XL runtime library from http://ftp.software.ibm.com/aix/products/ccpp/vacpp-rte-macos/