[gmx-developers] pull vec

Alexander Herz aherz.kazan at arcor.de
Mon Jul 27 13:53:40 CEST 2009


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??


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