On Mon, Sep 11, 2006, Jianhui Tian wrote:
>
> I run Sander to do MD for one molecule in vacuun using PME.
As you found out, you cannot do this in Amber, at least without some code
hacks. It is not clear what you are trying to accomplish here. Maybe if you
gave your reasons for wanting to do this, we could point to something else
that might work.
...dac
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Received on Wed Sep 13 2006 - 06:07:09 PDT
