[AMBER] Stripping waters from trajectory on a distance-based criteria

From: Alessandro Contini <alessandro.contini.unimi.it>
Date: Tue, 21 Jun 2016 11:27:25 +0200

Dear all,
I'm trying to strip all waters but those that are at a specific distance
from a given mask, made by multiple and non-consecutive residues, from a
solvated trajectory. I'm using AT15 cpptraj. Since I've read in the
manual that distance based actions do not update on a per frame based, I
was trying both strip and mask commands but without success. Does
anybody can point me toward a way of doing this?

Thank you and best regards

Alessandro

-- 
Alessandro Contini, PhD
Dipartimento di Scienze Farmaceutiche
Sezione di Chimica Generale e Organica "A. Marchesini"
Via Venezian, 21 20133 Milano
tel. +390250314480
e-mail alessandro.contini.unimi.it
skype alessandrocontini
http://www.scopus.com/authid/detail.url?authorId=7003441091
http://orcid.org/0000-0002-4394-8956
http://www.researcherid.com/rid/F-5064-2012
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Received on Tue Jun 21 2016 - 03:00:02 PDT