Please post your question on the mailing list! Am 10. Februar 2012 09:24 schrieb Tinashe Ndoro <[email protected]>: > How and where do I fix the following error and what do you think about > my previous email? > > For all non-bonded > for_all: run 'check_cutoff' > ######################################################################## > # > # ERROR: > # Error in interaction 'D-D': rvdw (1.5) in is smaller than max (3.0) > # To ignore this check set cg.inverse.gromacs.cutoff_check to 'no' > # > ######################################################################## > This basically means that the max of interaction D-D is bigger than rvdw (in the mdp file), which makes no sense as you would IBI-iterate on the D-D interaction from 1.5 to 3.0, but it would not be used in the MD simulation.
Cheers, Christoph -- Christoph Junghans Web: http://www.compphys.de -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
