TMD without alignment

From: John Green (john.green.jr1982_at_gmail.com)
Date: Fri Aug 04 2017 - 13:27:31 CDT

Hi,

According to the TMD tutorial, in targetted MD you the pathway between the
aligned structures which is useful in many cases. But is it possible to do
it without aligning? Basically I mean changing RMSD of two unaligned
structures from certain amount to zero by TMD.

Best,
JJ

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