Difference between revisions of "Wales Group"
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This page is intended to be an index of useful info concerning group practice and use of software including tutorials. Please feel free to add any notes you have on software use and especially on common problems you encounter. |
This page is intended to be an index of useful info concerning group practice and use of software including tutorials. Please feel free to add any notes you have on software use and especially on common problems you encounter. |
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| − | == |
+ | == Group software == |
| − | The official documentation can be found [http://www-wales.ch.cam.ac.uk/software.html here]. The links below provide working examples for each program the group uses, |
+ | The official documentation can be found [http://www-wales.ch.cam.ac.uk/software.html here]. It is highly reccomended that before you start any jobs, you check the documentation to make sure you understand what each keyword you have specified does and if it's necessary! The links below provide a few working examples for each program the group uses, from initial setup to job submission. |
* [[GMIN]] |
* [[GMIN]] |
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* [[OPTIM]] |
* [[OPTIM]] |
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* [[PATHSAMPLE]] |
* [[PATHSAMPLE]] |
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| + | |||
| + | |||
| + | == Other useful software == |
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| + | |||
| + | |||
* [[REX (Replica EXchange MD) with the MMTSB-toolset]] |
* [[REX (Replica EXchange MD) with the MMTSB-toolset]] |
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* [[gnuplot]] |
* [[gnuplot]] |
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| + | * [[VMD]] |
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| + | * [[Pymol]] |
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Revision as of 10:12, 29 April 2008
Members:
- Dr David J. Wales
- Szilard Fejer
- Chris Whittleston
- Hayley McKay
- Dr Joanne Carr
- Dr Dwaipayan Chakrabarti
- Dr Edyta Malolepsza
- Dr Birgit Strodel
This page is intended to be an index of useful info concerning group practice and use of software including tutorials. Please feel free to add any notes you have on software use and especially on common problems you encounter.
Group software
The official documentation can be found here. It is highly reccomended that before you start any jobs, you check the documentation to make sure you understand what each keyword you have specified does and if it's necessary! The links below provide a few working examples for each program the group uses, from initial setup to job submission.