[gmx-users] freez group

Morteza Khabiri khabiri at greentech.cz
Mon Jan 26 00:12:58 CET 2009

Dear Users,

I have a ligand inside one protein which I should freeze them to
equilibrate the solution around the protein. Unfortunately after some ps
the structure of protein and the environmental solution start to crash to
each other. Before I start mdrun, after grompp I get the following error:
Can not exclude the lattice Coulomb energy between energy groups

I was looking in the mailing lists but I could not find the proper answer.
there was a suggestion that said "it is not necessary that  include
missing one" which was not worked for my system. Is there any suggestion
for me?


More information about the gromacs.org_gmx-users mailing list