[gmx-users] long range restrain

[Mu Yuguang (Dr)]

Dear Colleagues,
I am using gromacs 4.0.5, when I applied some long-ranged restrains (using NMR restrain tools), it stopped with output:
Time or ensemble averaged or multiple pair distance restraints do not work (yet) with domain decomposition, use particle decomposition (mdrun option -pd)
However when I use mdrun -pd, it crashed.

DO we have some ways to go around it?
My molecule is quite big, so the restrain distance is larger than the cut-off.

Regards
Yuguang

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090908/d848cccc/attachment.html>