Categorized CHARMM .doc File Index
Note: Some of the features described in the documents below are enabled or disabled via the use of special keywords at compile time. As a consequence, not all compiled versions of CHARMM vers. 24 have all of the features, but they can be added by recompiling the source code.
Must Reads
Model Building and Manipulation
Energy and Minimization
Dynamics and Trajectory Analysis
Free Energy Methods
Special Features
System Specific
- graphx.doc X11 and PostScript graphics, other formats
- parallel.doc Requirements for multiprocessor calculations
Compiling, Testing, and Maintaining
For Developers Only...
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Categorized Command Index / rvenable@deimos.cber.nih.gov