[gmx-users] Asymmetry in homo dimer simulation
jalemkul at vt.edu
Wed Dec 5 17:26:30 CET 2012
On 12/5/12 11:21 AM, Kavyashree M wrote:
> Thank you for your suggestions. I decided the cutoff based on
> RMSD convergence. I will calculate at different time intervals.
> Running multiple simulation is definitely the best suggestion but
> due to time and machine constraint it would be difficult. Instead
> I have two mesophilic simulations. But Is there any other way
> by which I can prove this point?
Not using single trajectories. Your job is to convince reviewers that your work
is sound. A single trajectory is not convincing, at least to any reviewer that
does his or her homework :)
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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