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aarexAmber.pl
From MMTSB
Usage
usage: aarexAmber.pl [options] [files] options: [-n runs] [-par initruns=value,equilruns=value, [no]save,savebestfreq=value,archive ensmode=add|replace,natpdb=file,partop=file [-temp nwin:min:max] [-condfile file] [-f listfile] [-mdpar Amberparams] [-mdopt [no]trajout,[no]conslim, limforce=value,limsel=ca|cb|cab|heavy], [no]translate,ambercoor [-l refPDB min:max[=min:max ...]] [-cons [ca|cb|cab|heavy] ref|self min:max[_force][=...]] [-opt optionsfile] [-dir workdir] [-ens tag] [-ensdir dir] [PARALLELoptions] [-log file] [-elog file] [-amberlog file]
Description
This script works very similar to aarex.pl. It adds replica exchange functionality to Amber.
Options
- -help
- usage information