Hi, my comment is below:
On Mon, Feb 21, 2011 at 3:46 AM, Emanuele Galletta <galles87.gmail.com> wrote:
>
>
> Here is the input file:
>
> #Stage 2 heating 50K to 100K NVT ensamble 20ps restraint 8kcal/mol
> &cntrl
> imin=0, irest=0, ntp=0, ntb=1, ntpr=500, nstlim=10000, ntt=1,
> vlimit=10, cut=8, tautp=0.4, ntx=1, ntf=2, ntc=2,
> ntwr=500, ntwx=500, lastist=10000000, lastrst=10000000, dt=0.001,
> tempi=50.0, temp0=100.0
> ntr=1,
> &end
> Backbone restraints
> 8.0
> FIND
> * * M *
> SEARCH
> RES 1 476
> END
> END
> &end
You don't need that last '&end'. Should work if you remove it.
-Dan
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Received on Mon Feb 21 2011 - 08:00:03 PST
