Hi
I have an equilibrated DNA system. I have generated a point mutation in my equilibrated DNA system and want to run mutant DNA for sometimes. However, except for the atoms in mutated nucleotide(nt), I want to use the velocity from my output wildtype DNA system (restartfile) as an initial velocity for the rest of the atoms in my mutated DNA system. For the atoms in mutated nt, I am going to generate velocity based on maxwell-Bultmann distribution. Is there any way that I can extract the velocity for all atoms except perturbed one from wildtype system, and use it as an initial velocity for the atoms in mutated system?
Thanks
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Received on Mon Jan 29 2018 - 09:00:03 PST
