[gmx-developers] pull vec

[Berk Hess]

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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