Dear prof. van der Spoel, I am planning to study the Silicon crystalline. But I have one question about the force field of silicon. In the original paper, (E. J. W. Wensink, et al., Properties of Adsorbed Water Layers and the Effect of Adsorbed Layers on Interparticle forces by Liquid Bridging, Langmuir, 2000, 16, 7392-7400.), the LJ parameters are given as C6=0.22617*10^(-2) kJ nm^6/mol, and C12=0.22191*10^(-4) kJ nm^12/mol. While in ffG53a6nb.itp, C6= 0.01473796, C12= 2.2193521e-05. The value of C6 is different, with the same value of C12. Is there an error in the inconsistence, or I missed something?
PS: in ffoplsaanb.itp, sigma=3.38550e-01, epsilon= 2.44704e+00, which is consistent with the ffG53a6nb.itp. Since it is you who added the force field of silicon, and you have one related publication (D. van der Spoel, et al., Lifting a Wet Glass from a Table: A Microscopic Picture, Langmuir, 2006, 22, 5666.), I think you might be able to give me some help. Thanks a lot! best wishes, Baofu Qiao -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
