AMBER Archive (2002)

Subject: error message

From: Vlad Cojocaru (Vlad.Cojocaru_at_mpi-bpc.mpg.de)
Date: Wed Oct 16 2002 - 12:25:01 CDT

Could somebody explain the following message:
 

  NSTEP ENERGY RMS GMAX NAME NUMBER
  74400 -2.7789E+01 1.3802E-04 1.0058E-03 P 383

 BOND = 10.2627 ANGLE = 80.9812 DIHED =
358.1300
 VDWAALS = -415.1575 EEL = -52.6372 HBOND =
0.0000
 1-4 VDW = 143.8303 1-4 EEL = -153.1985 RESTRAINT =
0.0000

     .... RESTARTED DUE TO LINMIN FAILURE ...

     .... RESTARTED DUE TO LINMIN FAILURE ...

                    FINAL RESULTS

   NSTEP ENERGY RMS GMAX NAME NUMBER
  74421 -2.7789E+01 5.9667E-04 5.5544E-03 H3 374

 BOND = 10.2631 ANGLE = 80.9810 DIHED =
358.1300
 VDWAALS = -415.1575 EEL = -52.6372 HBOND =
0.0000
 1-4 VDW = 143.8302 1-4 EEL = -153.1987 RESTRAINT =
0.0000

     ***** REPEATED LINMIN FAILURE *****

Thanks a lot in advance for any responses
Best wishes,
vlad 

-- 
Vlad Cojocaru 
Max Planck Institut for Biophysical Chemistry 
Deparment: 060 
Am Fassberg 11, 37077 Goettingen, Germany 
tel: ++49-551-201.1389 
e-mail: Vlad.Cojocaru_at_mpi-bpc.mpg.de