[gmx-developers] pull vec

Berk Hess hess at cbr.su.se
Mon Jul 27 14:26:07 CEST 2009


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).


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
> _______________________________________________
> gmx-developers mailing list
> gmx-developers at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-developers
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-developers-request at gromacs.org.

More information about the gromacs.org_gmx-developers mailing list