> In any case, basing disk purchase decisions now on when GAMESS or
> nwchem will be interfaced to AMBER is likely a time scale mismatch.
> My impression (no inside information) is that such a marriage is
> months or years away (unless you write the code yourself, which I
> though about doing but decided against: do not know java). The
> AMBER/PUPIL people can speak for themselves, of course.
without going into the HD issue, I just wanted to let you know that a
NWChem interface through PUPIL has already been written, and is in
"testing phase" before being released, which should not take too long.
As for GAMESS, at this point all we have are plans to implement it.
Gustavo.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Mar 11 2009 - 01:12:33 PDT
