View source: R/process_colvar.R
process_colvar | R Documentation |
This function speeds up the openign and processing of the ABMD_COLVAR output file from ABMD inside GROMACS.
process_colvar(file, some_colnames = NULL, AAnum = 610)
file |
The COLVAR_ABMD file to be opened. |
some_colnames |
Specify other colnames for the read in table other than the default. |
AAnum |
Specify differnt number of amino acid residues for normalising the alpha value, defaulting to 610. |
prcoess_colvar(file = "1/COLVAR_ABMD")
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