[gmx-users] time-dependent electric field

[Norbert Jeszenői]

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
file?

My E_x parameters were: 1 0.03 1
Also tried E_xt (according to
http://gromacs.5086.n6.nabble.com/Oscillating-Electrical-Field-tt4430547.html),
but no succes.

I would appreciate any help,
best regards:

Norbert Jeszenői