On Thu, Nov 5, 2015 at 12:21 PM, V. Kumar <vin.vasanth.gmail.com> wrote:
> PEP:Minimization protocol for water molecules and counter ions only
>
> &cntrl
> imin=1,
> ncyc=50, maxcyc=1000,
> nmropt=1,
> ntc=2, tol=0.000001,
> cut=9.0,
> ntpr=100,
> ntb=1,
> ntr=1,
>
is that 2 lines of title? try 1
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Received on Thu Nov 05 2015 - 09:30:04 PST
