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? Thanks _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
