On Dec 17, 2012, at 1:07 AM, Chinthaka Ratnaweera <cnr88.msstate.edu> wrote:
> Thanks, But I think I need the periodic boundary conditions for the
> simulation. Just adding ethanols will not create periodic box
Look at the setBox command in tleap-- that will add a box around the system without adding any atoms.
HTH,
Jason
>
--
Jason M. Swails
Quantum Theory Project
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Dec 17 2012 - 06:00:10 PST
