Hi All,
Apologies if this may seem trivial.
I am following the guidelines of Tutorial 3 on the AMBER site. I am having
difficulty getting the Density Plot to plateau.
Dis is my parameters currently
&cntrl
imin=0,irest=1,ntx=5,
nstlim=500000,dt=0.002,
ntc=2,ntf=2,
cut=8.0, ntb=2, ntp=1, taup=2.0, PRES0 = 1.0,
ntpr=500, ntwx=500,
ntt=3, gamma_ln=2.0,
temp0=300.0,
ntr=1, restraintmask=':1-561',
restraint_wt=2.0,
ig=-1
/
Any help or suggestion would be appreciate...
--
Regards/Groete/Mit freundlichen Grüßen/recuerdos/meilleures salutations/
distinti saluti/siong/duì yú/привет
Jurgens de Bruin
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Received on Fri Jun 06 2014 - 03:30:03 PDT
