[gmx-developers] Time Dependent Electric field

[ryo kawakita]

thanks for your reply. i checked the equation (1) in the paper "Picosecond
Melting of Ice by an Infrared Laser Pulse:
A Simulation Study" and the equation has the initial time delay of t0 which
i wish to specify in the ,mdp file. in my simulation, i am trying to use an
electric field with

f= 1e15 Hz
t0= .25 ps

thats why i put the parameters E_xt 1 6.2842 (some number)
the first 2 numbers create a perfect cosine wave with f=1e15 but i cannot
find any suitable input to change the phase parameter t0. i varied the
(some number) from .00000000000000005 to 50 each time increasing by a
factor of 10 but the phase did not change at all.

again thanks for your time.


On Sun, Jan 12, 2014 at 4:14 AM, David van der Spoel [via GROMACS] <
ml-node+s5086n5013706h72 at n6.nabble.com> wrote:

> On 2014-01-11 20:09, ryo kawakita wrote:
> > thanks for your reply. i successfully generated the time dependent
> electric
> > field (checked the field.xvg file and found nice varying field) but i am
> > having some problems with the initial phase. it always starts with a
> value
> > of 0. can i change the initial phase of the cosine electric field? i
> tied
> > different input configurations of E_x and E_xt in the .mdp file but
> could
> > not find any solution to that(the electric field is always a cosine wave
> > with an initial phase of 0)
>
> Did you check Eqn 1 in the paper I mentioned?
>
> There is an phase offset such that you can make it a sine instead of a
> cosine.
> >
> > thanks a lot for your time.
> >
> > --
> > View this message in context:
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> Nabble.com.
> >
>
>
> --
> David van der Spoel, Ph.D., Professor of Biology
> Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
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