[gmx-users] restrain a part of ions!

Mu Yuguang (Dr) YGMu at ntu.edu.sg
Wed Nov 12 14:10:02 CET 2003

>[ position_restraints ]
>;  i funct       fcx        fcy        fcz
>   CA    1       1000        1000       1000

instead of CA, normally you should type the label number of the ions you
want to restrain.

More information about the gromacs.org_gmx-users mailing list