On Fri, Nov 18, 2005, Ilyas Yildirim wrote:
>
> I have an explicit water system, similar to the DNA tutorial. I am doing
> a perturbation on this system. I am trying to use the new sander
> (ver. AMBER 9). I want to heat the system from 0 to 300 K.
> Unit 15 Error on OPEN: groups
>
> Unit 15 Error on OPEN: groups
It's hard to see how this error has anything to do with heating or not
heating; or indeed anything with your sander input.
Can you run your job on a single workstation in interacctive mode? Are
you sure that your "mpi" perl script is really working? Basically, both
threads fail to find the "groups" file...
...dac
Received on Wed Apr 05 2006 - 23:49:47 PDT
