Difference between revisions of "Generating parameters using AMBER's built in General Forcefield (gaff)"
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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 :) |
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 :) |
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| − | [http://www.rosswalker.co.uk/tutorials/amber_workshop/Tutorial_five/create_prmtop.htm Here] you can find very useful tutorial written by Ross Walker how to create topology and coordinate files for the |
+ | [http://www.rosswalker.co.uk/tutorials/amber_workshop/Tutorial_five/create_prmtop.htm Here] you can find very useful tutorial written by Ross Walker how to create topology and coordinate files for the drug Sustiva (efavirenz). |
Revision as of 19:46, 12 May 2008
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).