Re: [gmx-users] distance restraints between different chains

I think pulling code can solve the problem, http://manual.gromacs.org/documentation/current/user-guide/mdp-options.html#com-pulling On Fri, Mar 20, 2020 at 12:04 PM Oscar Hernandez Alba wrote: > Dear all, > > > > I am trying to run MD with a protein with four different chains. When > I >

[gmx-users] distance restraints between different chains

Dear all, I am trying to run MD with a protein with four different chains. When I convert this structure to gromacs, I have four different molecules in the topology file. I would like to use distance restraints between specific atoms of different chains. I have created the itp file with