|
|
Difference between revisions of "genPSF.pl"
From MMTSB
| Line 10: | Line 10: | ||
; -help : usage information | ; -help : usage information | ||
| − | + | ; -par CHARMMparams : use specified [[CHARMM_Parameters]] | |
| + | ; -crdout file : generate coordinate file (CRD) | ||
| + | ; -xplor : generate a PSF file using XPLOR format | ||
| + | ; -log file : generate a CHARMM log file | ||
| + | ; -cmd file : generate a CHARMM input file | ||
== Examples == | == Examples == | ||
Revision as of 03:33, 29 July 2009
Usage
usage: genPSF.pl [PDBfile]
[-par CHARMMparams] [-crdout file]
[-xplor]
[-log file] [-cmd file]
Description
Options
- -help
- usage information
- -par CHARMMparams
- use specified CHARMM_Parameters
- -crdout file
- generate coordinate file (CRD)
- -xplor
- generate a PSF file using XPLOR format
- -log file
- generate a CHARMM log file
- -cmd file
- generate a CHARMM input file