Re: TMD without alignment

From: John Green (john.green.jr1982_at_gmail.com)
Date: Wed Aug 09 2017 - 17:27:25 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

On Fri, Aug 4, 2017 at 1:27 PM, John Green <john.green.jr1982_at_gmail.com>
wrote:

> 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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