[AMBER] REMD one long or many short runs?

From: Andreas Tosstorff <andreas.tosstorff.cup.uni-muenchen.de>
Date: Wed, 13 Sep 2017 15:18:02 +0200

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 - 06:30:03 PDT