[gmx-users] Electric field

Prithwish Nandi prithwish.nandi at ichec.ie
Sun Apr 12 15:48:26 CEST 2020


Please ignore my message.
I figured it out.
It should be  2*pi*1 = 6.28 for omega to generate a full cycle.



> On 12 Apr 2020, at 14:15, Prithwish Nandi <prithwish.nandi at ichec.ie> wrote:
> 
> Hi,
> I am trying to generate an alternating e-field using gromcas input as following:
> 
> electric-field-x         = 1.5 1  0  0
> 
> E0= 2 V/nm, omega = 1 cycle/ps
> 
> This means a cosine wave of magnitude 1.5 eV/nm and 1 cycle per pico-second.
> 
> I ran this input with mdrun -field option for a sanity check.
> 
> I plotted field.xvg .
> 
> Surprisingly, the plot (attached) is NOT showing 1 full cycle in a 1-ps period.
> It is only 1/4 cycle of a cosine wave.
> 
> So, can you please point out what is that I am missing here?
> 
> Thanks,
> 
> PKN\\
> 
> 
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