[gmx-users] MG-ATP

Sajad Ahrari sajadahrari at yahoo.com
Fri Apr 29 20:22:04 CEST 2011

thanks felix
you are right.both exist.but how can i tell gromacs to put MG ions in the 
standard vicinity of ATP? or maybe gromacs knows it already and i have to just 
type "MG-ATP" instead of "ADP"?

From: "Rausch, Felix" <frausch at ipb-halle.de>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Wed, April 27, 2011 1:33:52 PM
Subject: [gmx-users] MG-ATP

Looking at the list of building blocks available in GROMACS 
 you can find ATP as well as MG. So having a ATP-MG-complex in your simulation 
shouldn't be a problem.

 Von: gmx-users-bounces at gromacs.org im Auftrag von Sajad Ahrari
Gesendet: Mi 27.04.2011 10:52
An: gromacs user forum
Betreff: [gmx-users] MG-ATP

dear users
is "MG-ATP" known to gromacs ? in my pdb structure I have ADP and MG, apart from 
each other and not being crystallized in the right place. can i omit them and 
replace ADP's with MG-ATP? or I should introduce this topology to gromacs?
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