On Mon, May 05, 2008, Yang, Lee-Wei wrote:
>
> I had technical difficulty to read in the CO molecule by tleap.
You have to define a leap library file (either lib or prepi) that defines
a CO diatomic molecule, with the proper atom names and types defined there.
Tutorial A1 at
http://ambermd.org gives an illustration of how this is done.
...good luck...dac
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Received on Wed May 07 2008 - 06:07:30 PDT
