[gmx-users] ensemble distance restraints

[Da-Wei Li]

Dear All

I tried to run MD with ensemble based distance restrain. I set
disre=Ensemble and use -multi command argument in mdrun, according to the
manu. However, gromacs4.6 give me an error "Sorry, distance restraints with
ensemble averaging over multiple molecules in one system are not functional
in this version of GROMACS". However, I believe what I did is " ensemble
averaging over multiple molecules in MULTI system". that is, I shouldn't
get this errir. Did I miss sth?

thanks.

dawei