[AMBER] Rmsip calculation

From: Jenny 148 via AMBER <amber.ambermd.org>
Date: Mon, 15 Jul 2024 13:20:42 +0530

Dear all,

I have carried out pc analysis on the wildtype and mutant of the same
protein. I have carried out separate pc analysis and now want to compare
the subspaces spanned by these.
Is it okay to do an rmsip calculation on the mode 1 of each of these
trajectories?
Or is it advisable to do these only if we do a combined pc of within a
single trajectory?


Any help is greatly appreciated.

Regards,
Jenny
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Received on Mon Jul 15 2024 - 01:00:02 PDT
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