On Mon, Dec 28, 2009, ZhaoLei wrote:
>
>
> Would you mind to give us some suggestions about the criterion to
> choose the last good restart file ? According to your suggestion, we
> do not need to restart the simulation from the beginning of the whole
> simulation procedure ?
The last "good" file is the most recent one that does not have "****" in it.
>
> Just as you have mentioned, during the long-term simulation we would
> better turn on the binary restrart file (using "ioutfm" command)? would
> mind to give us some more detail explaination ?
It is my understanding that binary restart files have been disabled in Amber
10, so that this is not an option. The "ioutfm" variable refers to the
trajectory files, not to the restart files; the manual is a bit confusing
here.
...dac
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Received on Mon Dec 28 2009 - 07:00:02 PST
