VMD-L Mailing List

From: Thomas Albers (talbers_at_binghamton.edu)
Date: Mon Jul 29 2013 - 15:22:49 CDT

Hello!

> PSF NAMD
>
> It makes VMD read in the psf file the same way NAMD does, reading in the
> columns in a space-delimited way. Compiling 1.9.2 may not be needed
> either. I believe (although am by no means certain), that the NAMD flag
> is also respected in 1.9.1.

I can confirm that VMD 1.9.1 respects the NAMD flag. Thanks for the hint!

It would be a good thing, though, if psfgen knew about the NAMD flag
and set it if necessary. psfgen 1.6 reads in topologies and PSF files
with long atom types correctly and writes out a NAMD-type PSF. It
would be great if it set the NAMD flag automatically if it has to spit
out a non-standard psf file. The fact that it doesn't to it almost
qualifies as a bug.

Thanks,
Thomas