AMBER Archive (2000)

Subject: MD error

From: Christine Miyasaki (miyasaki_at_lclark.edu)
Date: Thu Jun 29 2000 - 15:51:17 CDT

Hi AMBER users,
Upon running MD, one of my jobs terminated soon after it began
and gave me the following error message:
 
     COORDINATE RESETTING CANNOT BE ACCOMPLISHED,
     DEVIATION IS TOO LARGE
     NITER, NIT, LL, I AND J ARE : 0 0 38 609 610

Can anyone shed some light on the exact problem, namely what these
variables refer to?
Thank you,
Christine