Sorry, also need ntt=0,1, or 4.
ntt=5 is not available after amber5.
4ps run to take rEDN from 0 to 100K
&cntrl
irest=0, ntx=1, t=0.0, nstlim=5,
ntb=2, ntp=1, ntc=2, ntf=2,
scnb=2.0, scee=1.2, cut=10.0,
ntt=4, tempi=000.0, temp0=100.0, dtemp=10.0,
tautp=0.2,
ntcm=1, nscm=10, nsnb=10,
dt=0.002, ndfmin=6,
ntwe=10, ntwx=500, ntwv=0,ntpr=1,
ntr=0,
/
Mike
Received on Thu Mar 22 2001 - 09:49:43 PST
