Dear Carlos
Great!!!. Its working now.
thanks a lot
Vince
On 5 November 2015 at 18:25, Carlos Simmerling <carlos.simmerling.gmail.com>
wrote:
> 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 - 10:00:04 PST
