| cMD equilibration to obtain parameters necessary for aMD production runs |
| &cntrl |
| imin = 0, irest = 1, ntx = 7, |
| ntb = 2, pres0 = 1.0, ntp = 2, taup = 2.0, |
| cut = 12.0, |
| ntr = 0, |
| ntc = 2, ntf = 2, |
| tempi = 310.0, temp0 = 310.0, |
| ntt = 3, gamma_ln = 1.0, |
| nstlim = 500000, dt = 0.002 |
| ntpr = 2000, ntwx = 2000, ntwr = 2000 |
| / |
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