From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Wed Jun 28 2006 - 14:08:03 CDT
if you run namdenergy with the debug flag set, it will write a namd
config file that you can then run elsewhere (this will also give you a
look at what is going on behind the scenes). You can also find this in
the NAMD manual under "Pair Interactions".
Mikolai Fajer wrote:
> I need to use the NAMD Energy plugin in VMD to calculate the energy of
> an atom selection. The VMD 1.8.4 Universal binary works great, but
> the plugin requires namd2 on the system. Does anyone know the status
> of MacOSX-i686 binaries? Or at least compilation documentation?
> An alternative method would be for me to remotely log onto our UNIX
> machine and run the corresponding NAMD script there. I cannot find
> the documentation for energy calculations of atom selections within
> NAMD, though. How does the NAMD Energy plugin work?
> Thanks all!
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