[gmx-users] Ques

Xianwei Wang wangxianwei1228 at 163.com
Tue Mar 13 09:06:31 CET 2012

Thanks very much for your help!
best wishes!

At 2012-03-13 13:06:14,"Tsjerk Wassenaar" <tsjerkw at gmail.com> 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.



On Mar 13, 2012 3:11 AM, "Xianwei Wang" <wangxianwei1228 at 163.com> 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 
      n = 1
        a = 0.000000e+00
        phi = 7.100000e-10
      n = 0
      n = 0
      n = 0
      n = 0
      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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