Dear Aymeric:
1. Can we please see the entire .mdp files for both simulations? I
suggest that you use a tau_t=1.0 (0.2 is probably over-damped).
2. Although any value of tau_t should still produce the correct
equilibria, your diffusion rates and your overall sampling may be
slower with sd
Dear users,
I'm simulating a box of cyclohexane (GROMOS 53a6, 512 molecules, 298K,
compressibility=11.2 10-5 bar-,1 tau_p=0.5 ps, no constraints on bonds).
After equilibration and NPT simulation, the system reaches the proper
density reported for the model (791g/L). When I switch to a stochast
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