[gmx-users] Ques

Xianwei Wang wangxianwei1228 at 163.com
Tue Mar 13 02:53:45 CET 2012


 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 direction 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?





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