On Thu, Mar 28, 2013 at 11:56 AM, Xioling Chuang <xioling_c.hotmail.com>wrote:
> Dear Jason,
>
> Thank you very much for your help. It works fine with setting inp=1 and
> radiopt=0 in the &pb.
> However, it's not clear to me. Why do we have to set these two parameters,
> since inp=1 and radiopt=0 are default? They should not set explicitly.
>
They are not the default in AmberTools 12. The manual did not get updated
with the change prior to the AmberTools 12 release -- see
http://ambermd.org/doc12 ;)
All the best,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Mar 28 2013 - 10:30:02 PDT
