Hi, all
When I try to run a job through the stand-alone mode. The input file generated automatically using Job File dialog. Then the following output file occurs:
DISCOVER Molecular Simulation Program
Version: 2007.1
Build: Jul 24 2007
Date: Fri Dec 25 11:28:31 2009
User Name: hhx
Host Name: f53088fa22294aa
Host Type: Windows
Threads: 1
---------------------------------------------------------------
Checked out license feature: MS_discover [for Unavailable] (1 copy)
---------------------------------------------------------------
randomSeed is set to 711711
Line 7:BTCL> autoEcho off
---------------------------------------------------------------
Checked out license feature: MS_compass [for Unavailable] (1 copy)
---------------------------------------------------------------
Error: Molecular system: mdf3:
encountered the error < Invalid record encountered >, on line #4 of file:
invoked from within
"begin forcefield = compass"
Total time used by DISCOVER: 0.16 secs
Completion date: Fri Dec 25 11:28:32 2009
Exiting Discover: An ERROR has occurred!
Coule you please analysis it and tell me why this will happen? Thank you
When I try to run a job through the stand-alone mode. The input file generated automatically using Job File dialog. Then the following output file occurs:
DISCOVER Molecular Simulation Program
Version: 2007.1
Build: Jul 24 2007
Date: Fri Dec 25 11:28:31 2009
User Name: hhx
Host Name: f53088fa22294aa
Host Type: Windows
Threads: 1
---------------------------------------------------------------
Checked out license feature: MS_discover
---------------------------------------------------------------
randomSeed is set to 711711
Line 7:BTCL> autoEcho off
---------------------------------------------------------------
Checked out license feature: MS_compass
---------------------------------------------------------------
Error: Molecular system: mdf3:
encountered the error < Invalid record encountered >, on line #4 of file:
invoked from within
"begin forcefield = compass"
Total time used by DISCOVER: 0.16 secs
Completion date: Fri Dec 25 11:28:32 2009
Exiting Discover: An ERROR has occurred!
Coule you please analysis it and tell me why this will happen? Thank you