parmed.amber.mdin.qmmm module

This module contains all of the qmmm namelist variables for the amber programs and automatically loads those dictionaries with the default values found in that program (sander only).

GPL LICENSE INFO

Copyright (C) 2010 Jason Swails and Ben Roberts

This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version.

This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.

You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.

class parmed.amber.mdin.qmmm.qmmm[source]

Bases: object