[AMBER] Creating a pdb of only certain molecules from a frame

From: Aseel Bala <balaahme.msu.edu>
Date: Tue, 4 Apr 2017 12:46:37 -0400

Hi everyone,

I have a netcdf file of an MD run of a binary mixture of butanol and
cyclohexane molecules containing 500 frames.
I would like to use AMBER (probably cpptraj) to create a pdb file that
contains only the information of certain molecules (say molecules 1,5,20,25)
in frame 10.

Is there a command that I could use to do this?

Thank you very much. 

--
Aseel M. Bala 
PhD Candidate, Chemical Engineering
Michigan State University
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Received on Tue Apr 04 2017 - 10:00:02 PDT
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