AMBER Archive (2003)

Subject: AMBER: MD Equil

From: Chenglong Li (chenlong_at_scripps.edu)
Date: Mon Nov 03 2003 - 17:07:56 CST

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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