N.B.: If you use the following files in your work, please cite the primary source. (see Description field)
| Name: | charmm36 |
| Type: | All atom |
| Files: | charmm36.ff.zip , charmm36.par.zip |
| Software: | Gromacs 4.5, 4.6, 5.0, 5.1, 2016 |
| Description: | Primary source: charmm36-mar2019.ff is available on http://mackerell.umaryland.edu/charmm_ff.shtml Modifications to the original forcefield are described in the README file. |
| References: |
Lee2015
Journal of Chemical Theory and Computation, 12.
CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field Klauda2010 The Journal of Physical Chemistry B, 114. Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types |