Tutorial: Download CHARMM topology and parameter files

From MSL-Libraries

For CHARMM energetics you will need to download the topology and parameter files from Alex MacKerell repository.

  1. Go dot http://mackerell.umaryland.edu/CHARMM_ff_params.html. A the time of writing the latest release is toppar_c35b2_c36a2.tgz
  2. Download the tar file and extract it in $HOME/toppar/charmm or /usr/local/mslib/toppar/charmm (suggested directories).

NOTE: MSL has been tested with the topology and parameter files v.22 (top_all22_prot.inp and par_all22_prot.inp).