VMD-L Mailing List

From: Craig Maloney (cmaloney_at_kitp.ucsb.edu)
Date: Tue Oct 25 2005 - 19:16:32 CDT

Hi all.

I'm currently using LAMMPS to do some MD simulations (not biological
stuff per se). I'd like to manually tell VMD about bonds. I gather
from traffic on this group that I cannot simply add "CONECT" lines to
the pdb files, right? So my question is whether this can be done
from the tcl or python interpreter? Or is there some documentation
somewhere for what these "PSF" files are all about? Or what is the
ETA for implementation in VMD of the CONECT lines feature?

Thanks much,
Craig