[gmx-users] Electric field GROMACS

Ashutosh singh ashokarath at gmail.com
Wed Jan 2 04:55:54 CET 2013


Dear GROMACS users,

A couple of days back I posted an issue which I have been facing, I
request you all to kindly help me..

I posted the following issue:

I ran a simulation using E_x as 1, 0.002, 0 i.e. i wanted a 0.002 V/nm
electric field strength. The simulation completed successfully. But
now i am confused with fact that the electric field which i subjected
my sample to was STATIC or OSCILLATING.

I presume it to be static as i didn't include any frequency value in
the mdp file for the electric field (Am i correct?)

How can i include an oscillating electric field code in the mdp file.
We are trying to use Gromacs for the first time. I hope i can get some
guidance and help.

Can someone please help me with the code to include the external
electric field (STATIC AND OSCILLATING). PLEASE...

Regards
Ash



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