[gmx-users] how to add a electric field to the water box when do a simulation

Daniel P. Luis J. danielsam_3 at yahoo.com
Mon Dec 20 17:39:43 CET 2010


I think you would to try 1 10.0 0.0. In the numbers,

On Mon Dec 20th, 2010 3:59 AM PST Carsten Kutzner wrote:

>On Dec 20, 2010, at 12:09 PM, 松啸天 wrote:
>
>> dear:
>>    I would like to use the  electric field inside a box defined by gromacs. So I  added E_x 1 10 0in the .mdp file, is it  the right approach?
>Yes, this will add an electric field of strength 10 V/nm acting in x-direction.
>
>Carsten
>>  i  hope people who knows will help me to add the electric field when i do a simulation.that's all.thank you!
>>  
>>                          yours
>>                            sincerely
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