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....
THX
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.....
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