[AMBER] Topology and Corresponding PDB Amber

From: Soumendranath Bhakat <bhakatsoumendranath.gmail.com>
Date: Sun, 25 May 2014 01:09:49 +0530

Dear Amberists;

Using CPPTRAJ command I was able to generate a stripped topology
corresponding to the stripped co-ordinate (mdcrd).


If I delete water from the com_solvated.pdb manually will it correspond to
the the stripped topology file?

I use the following input to generate a stripped topology

trajin md100.mdcrd
autoimage
strip :WAT,Cl- outprefix stripped
trajout md100_dry.mdcrd

Any option in CPPTRAJ to generate corresponding stripped pdb without going
back to tleap?

Thanks in advance. 

-- 
Thanks & Regards;
Soumendranath Bhakat
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Received on Sat May 24 2014 - 13:00:02 PDT
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