[gmx-users] possible bug in posre

[Justin Lemkul]

On 8/30/17 10:46 AM, Sergio Manzetti wrote:
> That means intercalation is affected directly by this, and the results will have no meaningful physical sense. Has anyone succssfully simulated intercalation in the DNA by some molecules without a method that disrupts the physicochemical energies of the DNA and the intercalator?

Sure, there are papers about this.  Docking, pulling simulations, etc.

-Justin

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Justin A. Lemkul, Ph.D.
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