PATHSAMPLE: Difference between revisions
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A driver for OPTIM to create stationary point databases using discrete path sampling and perform kinetic analysis. PATHSAMPLE is currently documented for two versions, [http://www-wales.ch.cam.ac.uk/PATHSAMPLE.doc/ 2.0] and [http://www-wales.ch.cam.ac.uk/PATHSAMPLE.2.1.doc/ 2.1]. |
A driver for OPTIM to create stationary point databases using discrete path sampling and perform kinetic analysis. PATHSAMPLE is currently documented for two versions, [http://www-wales.ch.cam.ac.uk/PATHSAMPLE.doc/ 2.0] and [http://www-wales.ch.cam.ac.uk/PATHSAMPLE.2.1.doc/ 2.1]. |
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== Tutorials == |
== Tutorials == |
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Revision as of 15:11, 29 April 2008
A driver for OPTIM to create stationary point databases using discrete path sampling and perform kinetic analysis. PATHSAMPLE is currently documented for two versions, 2.0 and 2.1.
Tutorials
These tutorials are under development. Please correct any mistakes you find and, of course, feel free to add more!