MMTSB
Tool Set Documentation

Difference between revisions of "genPSF.pl"

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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]

Show source


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

Examples