[gmx-users] MDP for DNA with ions

[Sergio Manzetti]

HI, I use mdp for simulating with a 2fs time step, nstlist 10, rlist 1.2, rcoulomb 1.2, rvdw 1.2, V-rescale, no P-coupling. Lincs on all bonds, still the DNA system won't minimize . 

What is your experience with DNA simulations and these settings? Do you have an mdp file that may be generally good for DNA sims? 

Thanks 

Sergio Manzetti 

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