On Tue, Aug 24, 2010, setyanto tri wahyudi wrote:
>
> last time when I'm trying make hexane-water box using packmol. This is well
> done.
> It is also parameterized using tleap. But, there is a problem appear when
> the system minimized.
>
> It is only shown like this...
>
> ==============================
> AMBER 10
> ==============================
We would need many more details to be of any help. Be sure to cut and paste
the *exact* outputs, etc. Be sure the test cases work. The first thing the
sander program (if that is what you are running) does is print out the date;
if you are not getting that, then the problem probably has nothing to do with
packmol....
....dac
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Received on Tue Aug 24 2010 - 05:00:09 PDT
