Yes, that should be correct.
-Bill
2011/8/29 Jesper Sørensen <lists.jsx.dk>
> Hi,
>
> When I run MMPBSA.py in parallel it splits up the file for each CPU-core,
> to something like this below.
>
> 2.4M _MMPBSA_mutant_receptor.mdcrd.0
> 2.3M _MMPBSA_mutant_receptor.mdcrd.1
> 2.3M _MMPBSA_mutant_receptor.mdcrd.2
> 2.3M _MMPBSA_mutant_receptor.mdcrd.3
> 2.3M _MMPBSA_mutant_receptor.mdcrd.4
> 2.3M _MMPBSA_mutant_receptor.mdcrd.5
> 2.3M _MMPBSA_mutant_receptor.mdcrd.6
> 2.3M _MMPBSA_mutant_receptor.mdcrd.7
>
> If I wanted to cat these together using ptraj, is the ordering of the files
> so that I can just cat 0, 1, 2, 3 etc. and the frames will be in the
> correct order as in the initial MD trajectory?
>
> Best regards,
> Jesper
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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 Mon Aug 29 2011 - 16:30:04 PDT
