[gmx-users] Ques

Tsjerk Wassenaar tsjerkw at gmail.com
Tue Mar 13 06:06:14 CET 2012

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
; 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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