[AMBER] Closest residues to an atom in ptraj

From: Alessandra Lacetera <alessandra.lacetera.gmail.com>
Date: Tue, 24 Feb 2015 19:42:06 +0000

Hi,
I was wondering if there is any command in cpptraj/ptraj to visualize which
residues is near to an atom during the simulation.
For example, it will be like defining a shell (but not solvent shell) for
e.g. of 6 Angstroms for an atom (like :LIG.H1) and the output should tell
us which residues is in that shell during the simulation.

I have checked the manual and I don't think to have seen this kind of thing.

Regards

Alessandra 

-- 
Alessandra Lacetera
PhD Student CIB (CSIC)
Calle Ramiro de Maetzu, 9
28040, Madrid - Spain
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Received on Tue Feb 24 2015 - 12:00:31 PST
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