DUMPPROJECTIONS

This is part of the generic module

Dump the derivatives with respect to the input parameters for one or more objects (generally CVs, functions or biases).

Examples

Compute the distance between two groups and write on a file the derivatives of this distance with respect to all the atoms of the two groups

Click on the labels of the actions for more information on what each action computes

contract shortcuts

x1: CENTER 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for. 
=1-10 The CENTER action with label x1 calculates the following quantities:

 Quantity   
 Description  
x1.x
Glossary of keywords and components

Compulsory keywords



 STRIDE  
( default=1 ) the frequency with which the derivatives should be output   

 FILE  
the name of the file on which to output the derivatives   

 FMT  
( default=%15.10f ) the format with which the derivatives should be output   

Options



 ARG  
the input for this action is the scalar output from one or more other actions. The particular scalars that you will use are referenced using the label of the action. If the label appears on its own then it is assumed that the Action calculates a single scalar value. The value of this scalar is thus used as the input to this new action. If * or *.* appears the scalars calculated by all the proceeding actions in the input file are taken. Some actions have multi-component outputs and each component of the output has a specific label. For example a DISTANCE action labelled dist may have three components x, y and z. To take just the x component you should use dist.x, if you wish to take all three components then use dist.*.More information on the referencing of Actions can be found in the section of the manual on the PLUMED Getting Started. Scalar values can also be referenced using POSIX regular expressions as detailed in the section on Regular Expressions. To use this feature you you must compile PLUMED with the appropriate flag.. You can use multiple instances of this keyword i.e. ARG1, ARG2, ARG3...   

 RESTART  
allows per-action setting of restart (YES/NO/AUTO)   

 UPDATE_FROM  
Only update this action from this time   

 UPDATE_UNTIL  
Only update this action until this time   







  


    
   
    
     1.8.17