[gmx-users] how to convert CGenFF into .itp file?
mailmd2011 at gmail.com
Wed Dec 26 12:29:29 CET 2012
On 12/26/2012 12:18 PM, Peter C. Lai wrote:
> You don't. CGenFF is a forcefield, like CHARMM36. You install it, add rtp
> entries then use pdb2gmx to generate a ligand's topology .itp file....
but the problem is how to use this script? I've already download the
latest CGenFF file from CHARMM FF website....It is a folder.....
More information about the gromacs.org_gmx-users