Hi,
> I was wondering if anyone has any expertise in trying to use amber
> generated files (topology especially) in NAMD. More specifically, is there
> a way to use the .prmtop file as input for NAMD (so not to transform it
> into a .psf file) if one also uses the amber force field in NAMD?
...it's quite straightforward, just follow the manual.
If you want rigid TIP3P waters,
see
http://amber.ch.ic.ac.uk/archive/200301/0128.html
the trick I described there really seems to work.
just be aware that it's an ungodly hack inside an ungodly hack :-)
good luck
Andreas
Received on Fri Feb 14 2003 - 06:27:27 PST
