One of your redundant angles went linear. If you restart from the checkpoint file, it should assign new redundant coordinates and work fine.
If you were not expecting the geometry optimization to move things around very much (started from a good structure) it is always a good idea to visualize the structures and make sure they're reasonable too.
Hope this helps,
Kent Gorday
________________________________________
From: Rana Rehan Khalid <rrkhalid.umich.edu>
Sent: Monday, July 17, 2017 2:38 PM
To: AMBER Mailing List
Subject: [AMBER] G09 Error
Can anyone guide me how i can sort out this error (I know this is the
gaussian error it should be asked on there mailing list but I am asking
here may be someone pass through this stage)
Using GEDIIS/GDIIS optimizer.
Bend failed for angle 20 - 88 - 57
Tors failed for dihedral 37 - 20 - 88 - 57
Tors failed for dihedral 53 - 20 - 88 - 57
Tors failed for dihedral 39 - 57 - 88 - 20
Tors failed for dihedral 55 - 57 - 88 - 20
FormBX had a problem.
Error termination via Lnk1e in /nfs/amino-projects/rrkhalid/g09/l103.exe
at Mon Jul 17 06:00:12 2017.
Job cpu time: 2 days 1 hours 48 minutes 59.2 seconds.
File lengths (MBytes): RWF= 596 Int= 0 D2E= 0 Chk= 52
Scr= 1
Kind Regards
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Received on Mon Jul 17 2017 - 12:00:04 PDT
