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
Received on Thu Jun 29 2000 - 13:51:17 PDT
