Generating parameters using AMBER's built in General Forcefield (gaff)
Revision as of 19:47, 12 May 2008 by import>Em427
If system contains residue(s) or ligand(s) which is not parametrized in AMBER libraries and there is no force field parameters for it, you need to calculate them :)
Here you can find very useful tutorial written by Ross Walker how to create topology and coordinate files for the drug Sustiva (efavirenz).