Hi,
I see it now; I had used amber 14 with manual-16. Thanks a lot for the
points made.
Best regards,
Azade
On Mon, Feb 13, 2017 at 5:40 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> hi,
>
> did you use amber16?
>
> Hai
>
> On Mon, Feb 13, 2017 at 11:17 AM, Azade Yazdan Yar <
> azade.yazdanyar.gmail.com> wrote:
>
> > Dear all,
> >
> > In my simulations I am using 'ntt=3'.
> > I noticed that the ig value is better to be set to '-1'.
> > I forgot to do this and now I have a set of restarted simulations in
> which
> > ig parameter is not set. Although in the manual it says that the default
> > value for this parameter is '-1', but when I look in the mdout files of
> > different restart runs, all of them have the exact same ig value (71277)
> > (actually ig has this value in any simulation which I have done so far
> with
> > amber!).
> >
> > My question is that: if the default value is -1 in the case where I have
> > not defined this parameter explicitly, why all the mdouts have the same
> ig?
> > and should I rerun my simulations with 'ig=-1'?
> >
> > Thanks a lot for your help and concern.
> >
> > Best regards,
> > Azade
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> >
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Received on Mon Feb 13 2017 - 09:00:03 PST
