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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Received on Mon Feb 13 2017 - 09:00:02 PST
