Difference between revisions of "AMBER"
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* [http://amber.scripps.edu/tutorials/ Ross Walker's AMBER9 tutorials] - recommended reading for '''ANYONE''' using AMBER! |
* [http://amber.scripps.edu/tutorials/ Ross Walker's AMBER9 tutorials] - recommended reading for '''ANYONE''' using AMBER! |
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| − | * [[Generating parameters using |
+ | * [[Generating parameters using AMBERs built in General Forcefield - ''gaff'']] |
* [[Generating parameters using RESP charges from GAMESS-US]] |
* [[Generating parameters using RESP charges from GAMESS-US]] |
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* [[Preparing an AMBER topology file for a protein plus ligand system]] - step by step |
* [[Preparing an AMBER topology file for a protein plus ligand system]] - step by step |
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Revision as of 15:08, 12 May 2008
"AMBER" (homepage here) refers to two things: a set of molecular mechanical force fields for the simulation of biomolecules (which are in the public domain, and are used in a variety of simulation programs); and a package of molecular simulation programs which includes source code and demos. We mainly use the MM forcefields interfaced with other group software i.e. GMIN or OPTIM. The included programmes such as sander and antechamber are however, extremely useful in some circumstances!
Tutorials
- Ross Walker's AMBER9 tutorials - recommended reading for ANYONE using AMBER!
- Generating parameters using AMBERs built in General Forcefield - ''gaff''
- Generating parameters using RESP charges from GAMESS-US
- Preparing an AMBER topology file for a protein plus ligand system - step by step
- Running MD with AMBER