On Fri, Apr 17, 2015 at 11:30 AM, Abhishek TYAGI <atyagiaa.connect.ust.hk>
wrote:
> Dear Jason,
>
> Thanks for your reply, the program is successfully running, now I am
> running for 30000 frames. As my input files generated from NAMD, i don't
> think that I can use nmode analysis, as it shows error while computing
> entropy, is it available in Ambertool or with the purchase version of Amber.
>
normal mode calculations are not available with chamber topologies. If
you used amber files in NAMD, then you can do all parts of MMPBSA.py.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Apr 17 2015 - 09:00:04 PDT
