AMBER Archive (2000)

Subject: DEVIATION IS TOO LARGE

From: Shixiang Yan (sy8_at_SCIRES.ACF.NYU.EDU)
Date: Fri Dec 08 2000 - 12:42:37 CST

i was running a system with explicit waters. in the stage of relaxing
waters, after like 7000 steps, sander 5 complains that

COORDINATE RESETTING CANNOT BE ACCOMPLISHED,
DEVIATION IS TOO LARGE

then exit the program for FATAL ERROR.... i have vlimit of 15... thanks
for any help... frank