[gmx-users] DNA simulation with opls forcefield

Gurunath Katagi gurunath.katagi at gmail.com
Tue Feb 4 14:45:27 CET 2014

Dear all,

I want to do a all-atom simulation of protein-DNA complex using gromacs
with opls forcefield. I see that the nucleic acid files are available at
this site ( http://rnp-group.genebee.msu.su/3d/ff.htm )

Can anyone let me know how to incorporate these files and run the
simulation ?
Also, Are there any issues in using opls forcefield with nucleic acids
simulations.. ? can anyone share their experience.. ?

thank you

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