On Fri, Jun 6, 2014 at 3:58 AM, Jurgens de Bruin <debruinjj.gmail.com>
wrote:
> 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...
>
​Run longer...
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Jun 06 2014 - 05:30:04 PDT
