[gmx-users] time-dependent electric field

Norbert Jeszenői jnorbert88 at gmail.com
Wed Dec 19 09:26:49 CET 2012

Dear Gromacs users,

I would like to simulate a protein with pulsed, time-dependent
electric field (similiarly to "Picosecond melting of ice..." article).

After taking a look on the mailing list archive, I have set the the
E_* parameters according to the manual. Also made some test runs, and
checked field.xvg (nice oscillating field but this is not what I
really need).
I have checked the source (sim_util.c) also, and found the code for
time-dependent field, so my question is, where can I set the
wavelength, the width, and the t_0 value of the laser pulse in the mdp

My E_x parameters were: 1 0.03 1
Also tried E_xt (according to
but no succes.

I would appreciate any help,
best regards:

Norbert Jeszenői

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