[MMTK] PSF file generation anyone?
Mon, 19 Jul 1999 10:44:06 -0700 (PDT)
> has anybody written some code to generate PSF files from MMTK universe
> objects using a CHARMM topology file? I'm using PSF files generated by
> XPLOR right now, but this might become unwieldy as soon as I have to
> add/delete certain atoms from one simulation to the next...
While I cannot offer any code I'd also be interested in that
functionality. Perhaps the information on
can be of any help in the implementation of it.