implementation of Magnetic field in NAMD 2.12 readme file provided by "Kosar Khajeh" in order to introduce magnetic field force into NAMD source code version 12.
It should be mentioned that, only "ComputeMField.C" and "ComputeMfield.h" are new files in this category. As you know, both the electric field and magnetic field are electomagnetic wave and fundamentally are the same. In this implementation we have tried ro follw the method which has used to apply electric field inside the source code. These files contain the neccessary relation for description of magnetic field based on the Lorentz force and these files have been connected to the other files in the source code. for more information about other files please see the NAMD.pdf and below link; http://www.ks.uiuc.edu/Research/namd/development.html
Author
Kosar Khajeh, Habib Aminfar, Yoshihiro Masuda, Mousa Mohammadpourfard
khajeh.k.2005 at gmail.com
Citation
Please cite this paper when publishing results obtained with the Density Profile Tool:
Khajeh, K., Aminfar, H., Masuda, Y. et al. Implementation of magnetic field force in molecular dynamics algorithm: NAMD source code version 2.12. J Mol Model 26, 106 (2020). https://doi.org/10.1007/s00894-020-4349-0
Implementation
See instructions in Implementation file.
Documentation
Further documentation is available in the uploaded files.
For an extensive description of the tool, together with the comparison with experimental data, see the published paper.
License
NAMD-MAGNETIC-FIELD Copyright (C) 2020
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 3 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, see http://www.gnu.org/licenses/.