Hi,
I'm sorry to intrude your conversations. But the following message caught
my eye. I was wondering if anyone has posted benchmarks for running
parallel MD in both NAMD and sander. Thank you very much.
Sincerely yours,
Margaret
>
> >I then successfully compiled amber6.
> >When running sander if I set ntc=3, the job bombs and I get the message
> >for this parallel version only works for ntc < 3
> >Is this legitimate?
>
> Apparently so. Have you looked at NAMD? It can read AMBER prmtop and prmcrd
> files but is a much better MD implementation, written in C/C++, is much faster
> on Linux clusters w/ 100BaseT, and is freely available.
>
> Dave
>
Received on Wed Aug 22 2001 - 10:23:40 PDT
