On Mon, May 07, 2012, Chris Chris wrote:
>
> > Can someone see what I did wrong here?
> >
> > heat 2psj ctz first time
> >� &cntrl
> >� imin=0,irest=0,ntx=1,
> >� nstlim=25000,dt=0.002,
> >� ntc=2,ntf=2,
> >� cut=8.0, ntb=1,
> >� ntpr=500, ntwx=500,
> >� ntt=3, gamma_ln=2.0,
> >� tempi=0.0, temp0=300.0,
> >� ntr=1,
> >� nmropt=1
> >� /
..
<broken_record>
When you have problems, set nstlim=10 and ntpr=1; doesn't always help, but
certainly narrows down the list of possible problems.
</broken_record>
....dac
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Received on Tue May 08 2012 - 05:30:02 PDT
