Thanks very much for your help! best wishes! At 2012-03-13 13:06:14,"Tsjerk Wassenaar" <[email protected]> wrote:
Hi Xianwei Wang, According to the information in your mail (the comments from the mdp file), it's just the other way around: phi is the amplitude and a is the phase. Cheers, Tsjerk On Mar 13, 2012 3:11 AM, "Xianwei Wang" <[email protected]> wrote: Dear gmx users: I would like to apply electric field to my simulation box. I have already read the manual and I added this into mpd file as manual told: ; Electric fields = 7.1e-10V/nm ; Format is number of terms (int) and for all terms an amplitude (real) = ; and a phase angle (real) = E_x = 1.0 7.1e-10 0 ;E_xt = ;E_y = ;E_yt = ;E_z = ;E_zt = as I know, this line E_x = 1.0 7.1e-10 0 would add x direct ion 7.1e-10V/nm electric field, but in the MD simulation log file the three number is efield-x: n = 1 a = 0.000000e+00 phi = 7.100000e-10 efield-xt: n = 0 efield-y: n = 0 efield-yt: n = 0 efield-z: n = 0 efield-zt: n = 0 why phi = 7.100000e-10 and a=0? Are a and phi the strength of the electric field and phase of the cosine? -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
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