Dear AMBER users,
I tried a warm-up of a protein/ligand complex with ibelly=1 and
NTB=0 using ipol=1 (polarizable ff):
a) if eedmeth=5, stop at "bad eedmeth in ew_short_dip: 5";
b) if eedmeth=4, stop at "vlimit exceeded for step 5 ........".
However, if ipol=0 (turn off). it runs.
So how can I keep ipol on and keep MD equil going?
Thanks,
Chenlong Li
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Received on Wed Nov 05 2003 - 13:53:02 PST
