Links

Force field links

  • The CGenFF program is a product of the discontinued ParamChem project. Check out its technology page, where other exciting force field-related technologies are listed.
  • The CHARMM force field is distributed freely and independently from the CHARMM program; both can be used with other molecular simulation codes such as NAMD, GROMACS,...
  • The CGenFF pages provide some additional resources pertaining to the CHARMM General Force Field (CGenFF) and program.
  • If you are not happy with the bonded parameters produced by the CGenFF program (for instance because they have high penalties), you can fit them in a robust fashion using the lsfitpar program.

Simulation links

  CHARMM

  • The CHARMM molecular simulation program.
  • CHARMM-GUI is, among other things, a web interface to generate CHARMM input files for performing common types of simulations on a system of the user's choice. CHARMM-GUI uses the CGenFF program for automatic atom typing and assignment of parameters and charges on ligands and cofactors.
  • The CHARMM forums provide additional resources on how to accomplish common and less common tasks using CHARMM. Specifically, there is a script archive with recommended procedures, a basic questions forum, and last but not least, a parameter set discussion forum that is frequented intermittently by the CGenFF authors.

  NAMD

  Other simulation programs

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