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

[Erik Marklund]

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
http://pubs.acs.org/doi/full/10.1021/ct2007814

Kind regards,
Erik

Erik Marklund, PhD
Postdoctoral Research Fellow, Fulford JRF

Department of Chemistry
Physical & Theoretical Chemistry Laboratory
University of Oxford
South Parks Road
Oxford
OX1 3QZ

 Any recommendations or experiences?

Thanks in advance!

Jernej
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