AMBER Archive (2005)

Subject: Re: AMBER: Quantifying DNA perterbation

From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Wed Nov 16 2005 - 05:08:41 CST


Youi likely already did this, but it's important to run
a control without the linker under identical conditions.

Kara Di Giorgio wrote:

> Does anyone know of a method to quantify how much DNA has been
> perterbed during a MD run? I have done MD simulations of DNA with a
> cross-linker of various lengths in it. I need to compare how much
> each linker perterbed the DNA. Does anyone have any ideas?
>
> Thank you,
>
> Kara Di Giorgio
>
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