Hello all,
I was going through the tutorial on the website, attempting to simulate
a holiday junction. After I solvate the molecule and add the
counter-ions, I attempt to run a short minimization run to remove any
potentially bad contacts (as described under the DNA tutorial as Step
one). This work, however for the next step (Dynamics holding the solute
fixed), it crashes and give me this error:
vlimit exceeded for step 0; vmax = 60.1534683
COORDINATE RESETTING CANNOT BE ACCOMPLISHED,
DEVIATION IS TOO LARGE
NITER, NIT, LL, I AND J ARE : 0 0 1 27 28
I'm following the tutorial as written, only using the holiday junction
pdb file. What am I doing wrong?
Thank you,
Tod Pascal
Received on Fri Nov 15 2002 - 17:23:54 PST
