[gmx-developers] Time Dependent Electric field

ryo kawakita ryokawakitajp at gmail.com
Tue Jan 7 12:31:53 CET 2014

hi, i am new to gromacs. i was trying to use the time dependent Electric
field and found that there is no direct way to use it, so tried to go to the
source code(sim_util.c calc_f_el) and modify a little bit so that i can use
it for my purpose.

so i went into the sim_util.c and in the calc_f_el portion...

i tried to modify the lines

Ext[m] * = Ex[m].a[0]*FIELDFAC;


Ext[m] *= Ex[m].a[0]*FIELDFAC*sin(2*180*frequency*t);

But it showed no change in the output.
Tthats why i tried to see if it is really working or not and put  Ext[m] * =
Ex[m].a[0]*FIELDFAC* 0 (multiplied the whole with a zero);.

It did not work either (ie. electric field was still working) 

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