VMD-L Mailing List

From: Tristan Croll (tristan.croll_at_qut.edu.au)
Date: Mon Jan 20 2014 - 19:50:35 CST

Minor issue, really:

For the 'mdff sim' or mdff check' commands, the -res switch is listed, respectively, as:
-res <target resolution in Angstroms> (default: 10.0)
-res <map resolution in Angstroms> (required by -ccc)

Internally, though, it hands this through to volmap to apply a Gaussian blur with sigma = (res/2) - which will yield the desired effective resolution only if the grid spacing is the default of 1 Angstrom.

Cheers,

Tristan