[gmx-developers] Time Dependent Electric field

[David van der Spoel]

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: http://gromacs.5086.x6.nabble.com/Time-Dependent-Electric-field-tp5013625p5013702.html
> Sent from the GROMACS Developers Forum mailing list archive at 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.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se