[AMBER] PCA reweighting

From: Aswin Hanagal <aswinhanagal.yandex.com>
Date: Fri, 27 Sep 2019 12:21:37 +0530

   Good day,

   I am new to Amber and I was wondering how to do a PCA reweighting after
   generating a set of PCA values using the script in the CPPTRAJ manual for an
   accelerated MD simulation. I am aware of the scripts in tutorial 22 which
   was used for the phi-psi angles but is there any other script or method that
   anyone uses and have tested with Amber 18?

   Thanking you

   Aswin Hanagal
   Sent from Yandex.Mail for mobile
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Received on Fri Sep 27 2019 - 00:00:02 PDT
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