View source for Tutorial: Download CHARMM topology and parameter files

From MSL-Libraries

← Tutorial: Download CHARMM topology and parameter files

You do not have permission to edit this page, for the following reason:

---

You can view and copy the source of this page.

For CHARMM energetics you will need to download the topology and parameter files from Alex MacKerell repository. # Go dot [http://mackerell.umaryland.edu/CHARMM_ff_params.html http://mackerell.umaryland.edu/CHARMM_ff_params.html]. A the time of writing the latest release is toppar_c35b2_c36a2.tgz # 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).

Return to Tutorial: Download CHARMM topology and parameter files.