On Fri, Oct 30, 2009, nicholus bhattacharjee wrote:
>
> Yes sander is running when when I top. By the way do I have to make ntb=0 in
> the input file?
Yes: the default is ntb=1, so if you want a non-periodic simulation, you need
to add ntb=0. The error *might* be the cause of the hang.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Oct 30 2009 - 06:00:08 PDT