[gmx-users] Electric field

Prithwish Nandi prithwish.nandi at ichec.ie
Sun Apr 12 15:16:43 CEST 2020


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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