From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Fri Feb 22 2019 - 12:51:41 CST
Hi Kelly,
Wouldn't constant velocity pulling imply that they all leave when they are told to by the ridiculously high force applied? Like, if you pull at 1A/ns, they will all be 3A away in 3ns... Am I missing something? The *forces* might be comparable, but the leaving times certainly are going to be meaningless.
-Josh
On 2019-02-22 09:04:53-07:00 owner-namd-l_at_ks.uiuc.edu wrote:
I keep being told that I should resist using constant velocity SMD when looking for ligand/protein separation leaving times, but with no explanation. Why can't I use constant velocity pulling to compare leaving times for different ligands in a protein?
Kelly L. McGuire
PhD Candidate
Biophysics
Department of Physiology and Developmental Biology
Brigham Young University
LSB 3050
Provo, UT 84602
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