On Fri, Aug 24, 2012 at 11:28 AM, George Tzotzos <gtzotzos.me.com> wrote:
> Thank you Dan,
>
> I think that 'molsurf' is not implemented by cpptraj. I assume that in
> order to use 'molsurf' I shall have to build up the molecules using NAB. Am
> I right in this?
>
No. Check the 'molsurf' command in the AmberTools manual for cpptraj.
Cpptraj handles molsurf.
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Fri Aug 24 2012 - 09:00:03 PDT
