Dear AMBER Users,
To all the users who have been testing the LIPID11 force field:
I have been using LIPID11 with a POPC bilayer (128 lipids and a water/lipid ratio greater than 30), at 303 K with the Langevin thermostat (ntt = 3, gamma_ln = 1.0), with semi-isotropic coupling (ntp = 3), pressure in z of 1 atm (pres0 = 1, taup = 2.0)and a surface tension of 17 dynes/cm (csurften = 3, gamma_ten = 17), as recommended by Professor Ross Walker.
However, after 50 ns of simulation, the area per lipid values have been ranging between 60 and 62 A2, far from the 64.3 A2 experimental values. What should I do? …
Regards,
JM
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Received on Thu Jun 28 2012 - 12:00:02 PDT
