[AMBER] ired t1 relaxation time

From: Khanna, Tarun <tarun.khanna.imperial.ac.uk>
Date: Thu, 19 Feb 2015 18:56:57 +0000

Hi,

I have a question related to the calculation of T1 relaxation time for a C(sp3)-H bond through molecular dynamics.
In cpptraj ired do the same thing for N-H bonds. Can I extend (easily) this analysis for my bond type as well? or is there any other way to calculate relaxation times in amber?

Any input will be really appreciated.

Thank you in advance

Tarun Khanna

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Received on Thu Feb 19 2015 - 11:00:03 PST