Re: [AMBER] Closest residues to an atom in ptraj

From: Alessandra Lacetera <alessandra.lacetera.gmail.com>
Date: Wed, 25 Feb 2015 12:36:32 +0000

Thank you Daniel, more or less it was what I was searching for.

The bad thing is that it finds also intramolecular distances and waters (I
will use grep command to take what I need).

It would be great to have the possibility to specify both masks.

E.G. mask "(:5 <:3.0 :1-4)", where :1-4 is the protein and :5 the ligands

Thanks

Regards 
-- 
Alessandra Lacetera
PhD Student CIB (CSIC)
Calle Ramiro de Maetzu, 9
28040, Madrid - Spain
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Received on Wed Feb 25 2015 - 05:00:07 PST
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