Performing a normal mode analysis of a biomolecule using OPTIM (AMBER and CHARMM): Difference between revisions
Jump to navigation
Jump to search
import>Csw34 No edit summary |
import>Csw34 No edit summary |
||
| Line 3: | Line 3: | ||
Example input for both A9OPTIM and COPTIM has been uploaded [http://www-wales.ch.cam.ac.uk/examples/OPTIM/normalmodes/ here]. These archives contain all you need to run OPTIM in this way, and the input is commented to make it easy to adapt to other molecules and situations. If you have problems running this input, and are sure OPTIM has been compiled correctly, ask someone for help! :) |
Example input for both A9OPTIM and COPTIM has been uploaded [http://www-wales.ch.cam.ac.uk/examples/OPTIM/normalmodes/ here]. These archives contain all you need to run OPTIM in this way, and the input is commented to make it easy to adapt to other molecules and situations. If you have problems running this input, and are sure OPTIM has been compiled correctly, ask someone for help! :) |
||
Visualising the data produced is covered in a separate example archive and tutorial located [[Visualising |
Visualising the data produced is covered in a separate example archive and tutorial located [[Visualising normal modes using VMD and OPTIM | here]] |
||
Latest revision as of 15:18, 2 April 2009
OPTIM is able to perform harmonic normal mode analysis on stationary points.
Example input for both A9OPTIM and COPTIM has been uploaded here. These archives contain all you need to run OPTIM in this way, and the input is commented to make it easy to adapt to other molecules and situations. If you have problems running this input, and are sure OPTIM has been compiled correctly, ask someone for help! :)
Visualising the data produced is covered in a separate example archive and tutorial located here