Run them from different structures, not just different seeds. Short runs
from the same structure can give similarly bad results, often leading
people to show error bars that are completely unrealistic.
On Sep 13, 2017 9:18 AM, "Andreas Tosstorff" <
andreas.tosstorff.cup.uni-muenchen.de> wrote:
> Hi all,
>
> I want to run temperature REMD and was wondering if it makes sense to run
> many short REMD runs with different starting seeds (ig=-1) to further
> enhance sampling? Or should I go for one long run instead?
> Many thanks for your feedback and help in advance!
>
> Kind regards,
> Andy
>
> Von meinem iPhone gesendet
>
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Received on Wed Sep 13 2017 - 07:00:02 PDT
