[gmx-developers] pull vec

[Alexander Herz]

Ok, so it seams I don't fully understand how the pulling works.
In which (physical) sense are the two pull groups connected?

Alex

Berk Hess schrieb:
> Hi,
>
> I don't understand what you want to do.
>
> You can just specify a single pull vector and the groups will always
> be pulled in opposite directions (action=reaction).
>
> Berk
>
> Alexander Herz wrote:
>   
>> Hi,
>>
>> In gromacs 3.3 it was possible to define 2 pull groups and pull them in
>> opposite directions (using afm and 2 dir vecs).
>> Now I'm trying to run the same sim in 4.0.5. Here I can only specify a
>> pull_vec1 (pull_vec0 is not parsed as can be seen
>> in readpull.c "if (i > 0) {"). Is this the intended behaviour? If yes,
>> how can I specify the pull direction for pull group 0??
>>
>> Thx,
>> Alex
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