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- cv addenergy <E>
Add an energy to the MD engine (no effect in VMD)
Parameters
E : float - Amount of energy to add
- cv config <conf>
Read configuration from the given string
Parameters
conf : string - Configuration string
- cv configfile <conf_file>
Read configuration from a file
Parameters
conf_file : string - Path to configuration file
- cv delete
Delete this Colvars module instance (VMD only)
- cv frame [frame]
Get or set current frame number (VMD only)
Parameters
frame : integer - Frame number (optional)
- cv getconfig
Get the module's configuration string read so far
- cv getenergy
Get the current Colvars energy
- cv help [command]
Get the help string of the Colvars scripting interface
Parameters
command : string - Get the help string of this specific command (optional)
- cv list [param]
Return a list of all variables or biases
Parameters
param : string - "colvars" or "biases"; default is "colvars" (optional)
- cv listcommands
Get the list of script functions, prefixed with "cv_", "colvar_" or "bias_"
- cv load <prefix>
Load data from a state file into all matching colvars and biases
Parameters
prefix : string - Path to existing state file or input prefix
- cv loadfromstring <buffer>
Load state data from a string into all matching colvars and biases
Parameters
buffer : string - String buffer containing the state information
- cv molid [molid]
Get or set the molecule ID on which Colvars is defined (VMD only)
Parameters
molid : integer - Molecule ID; -1 means undefined (optional)
- cv printframe
Return the values that would be written to colvars.traj
- cv printframelabels
Return the labels that would be written to colvars.traj
- cv reset
Delete all internal configuration
- cv resetindexgroups
Clear the index groups loaded so far, allowing to replace them
- cv save <prefix>
Change the prefix of all output files and save them
Parameters
prefix : string - Output prefix with trailing ".colvars.state" gets removed)
- cv savetostring
Write the Colvars state to a string and return it
- cv units [units]
Get or set the current Colvars unit system
Parameters
units : string - The new unit system (optional)
- cv update
Recalculate colvars and biases
- cv version
Get the Colvars Module version number
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vmd@ks.uiuc.edu