As far as I know there is no way to do this using mm_pbsa.pl. However, if
you chose to use MMPBSA.py to perform the energy decomposition, then setting
dec_verbose to 0 or 2 will only print the total contributions in the output
files.
I hope that helps.
-Bill
On Tue, Aug 9, 2011 at 2:20 AM, <moitrayee.mbu.iisc.ernet.in> wrote:
> Dear Amber Users,
>
> I am performing the residue-wise energy decomposition in Amber using
> mm-pbsa
> module. The outputs are for TDC, SDC, and BDC. Is it possible that I only
> write
> out TDC in the output file *_com.all.out. This is because the file size
> becomes
> too large if I print all.
>
> Any suggestions regarding this will be highly appreciated.
>
> Thanks a lot in advance.
>
> Best Regards,
> Moitrayee
>
>
>
>
>
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--
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
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Received on Tue Aug 09 2011 - 05:00:03 PDT
