I have this error output
PB Bomb in pb_atmlist(): maxnba too short
any idea what is going on?
Eduardo
here is the input file
MD equilibration from t0 to 10 K
&cntrl
imin=0, irest=0,
nstlim=1000,dt=0.001, ntc=1,
ntpr=50, ntwx=50, ntwv=50,
cut=20, ntb=0, igb=10,
ntt=3, gamma_ln=0.0,
tempi=0.0, temp0=50,
ifqnt=1
/
&qmmm
qmmask=':14,15,16',
qmcharge=-3,
qmtheory=3,
qmcut=15.0,
WRITEPDB=1,
PRINTCHARGES=1,
/
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Received on Sun Feb 10 2008 - 06:07:29 PST
