[AMBER] Corresponding PDB and snapshot PDB

From: Soumendranath Bhakat <bhakatsoumendranath.gmail.com>
Date: Sun, 27 Apr 2014 14:00:50 +0200

Hii;

So as per cpptraj script if I use this script I will get a stripped topoly
which corresponds to stripped .mdcrd

trajin md2.mdcrd
autoimage
strip :WAT,Na+ outprefix stripped
trajout md2_dry.mdcrd

Is ther any quick ptraj or cpptraj script which will generate a
corresponding pdb as well as topoloy which will correspond to the same
stripped co-ordinate?

Also say for example because of internet connection issue sometimes taking
snapshots by transferring coordinate becomes a problem. Any script which
will help in taking snapshot at a particular time. Say for example I ran a
50 ns MD and I want a corresponding PDB which denotes at the point of 30 ns
any script for that. 

-- 
Thanks & Regards;
Soumendranath Bhakat
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Received on Sun Apr 27 2014 - 05:30:02 PDT
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