[gmx-users] DNA-protein complex - which force field to use?

Erik Marklund erik.marklund at chem.ox.ac.uk
Mon Feb 2 10:19:00 CET 2015

On 2 Feb 2015, at 01:53, Jernej Zidar <jernej.zidar at gmail.com<mailto:jernej.zidar at gmail.com>> wrote:

Hi everyone!
 I would like to study a DNA-protein complex. The protein part is
composed of aminoacids covalently attached to the DNA bases. Which
force field would you recommend? Based on recent experience I was
thinking of using either OPLS-aa or CHARMM. OPLS-aa would be the
prefered choice because it performs way better than CHARMM.

At least for proteins that seems incorrect

Kind regards,

Erik Marklund, PhD
Postdoctoral Research Fellow, Fulford JRF

Department of Chemistry
Physical & Theoretical Chemistry Laboratory
University of Oxford
South Parks Road

 Any recommendations or experiences?

Thanks in advance!

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