[gmx-users] get the mass having the atom type
mark.abraham at anu.edu.au
Wed Jun 23 11:45:53 CEST 2010
Sure. Look through the data structures for arrays of mass.
----- Original Message -----
From: Sebastian Waltz <sebastian.waltz at physik.uni-freiburg.de>
Date: Wednesday, June 23, 2010 19:15
Subject: [gmx-users] get the mass having the atom type
To: gmx-users at gromacs.org
> Hi all,
> I am using the template.c file to make some individual
> analyses. Using top.atoms.atomtype[i] I can get the
> information of the atom type of atom i. Is it then possible
> to use this information to get the mass of this specific
> Thanks a lot
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