[gmx-users] binding sites with MD

[Tom Dodson]

Albert, I would love to, but I can't take time away from my work to do it,
unfortunately. I'm not one of the devs on the project - I've just talked
with them and played around with the tool while I was at PSC. You could
always write them, or just bite the bullet and run a few simulations in
NAMD :)

I hope I don't get kicked off the list for admitting I use both programs :)

Tom

this plug-in looks interesting.
> However, as far as I saw from the tutorial that even we run simulation
> from Gromacs, this plugin can only import NAMD psf and DCD to analysis.
> That's  a headache issue. Can you improve this vmd plugin so that it can
> also read Gromacs format files directly?
> best
> Albert