Re: [AMBER] Atom selection in cpptraj

From: SATYAJIT KHATUA via AMBER <amber.ambermd.org>
Date: Sat, 10 Jun 2023 14:43:48 +0000

Hi,

Have you tried as following

 rmsd first :28-35,79-87,90-98,102-108.CA?

Best regards
Satyajit

________________________________
From: Erik Zuiderweg via AMBER <amber.ambermd.org>
Sent: Saturday, June 10, 2023 8:07:51 pm
To: AMBER Mailing List <amber.ambermd.org>
Subject: [AMBER] Atom selection in cpptraj

Cpptraj finds a syntax error in the following expression

rmsd first [:28-35.CA & :79-87.CA & :90-98.CA & :102-108.CA]


What I want : do a superposition of a series of MD frames using the CA atoms of residues 28-35, 79-89, 90-98 and 102-108


Erik R.P. Zuiderweg
Professor Emeritus
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Received on Sat Jun 10 2023 - 08:00:03 PDT
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