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nmaCHARMM.pl
From MMTSB
Usage
usage: nmaCHARMM.pl [options] [PDBfile] options: [-modes value] [-xtract prefix] [-minimize steps] [-minout file] [-block] [-quasi dcdfile] [-temp value] [-quasel selection] [-ic] [-icscale value] [-ics angle=value,bond=value,dihedral=value modefile] [-dihedsample modefile prefix from to delta] [-entropy] [-psf PSFfile CRDfile] [-par CHARMMparams] [-log logFile] [-cmd logFile] [-custom file]
Description
Options
- -help
- usage information
- -modes value
- number of modes to calculate
- -xtract prefix