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

[Mark Abraham]

On 21/12/2010 3:39 AM, Daniel P. Luis J. wrote:
> I think you would to try 1 10.0 0.0. In the numbers,

GROMACS does not determine whether to store an input number as an 
integer or a float based on the presence of numbers after a decimal 
point. The range of permissible values determines the data type in which 
it is stored.

Mark

> 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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