Hi everyone, I am doing a DNA simulation in a long simulation box (the lengthen of z is much larger than x and y). So I want to constrain the DNA molecule lying along the z axis. But I don't know how to realize this in GROMACS.
Actually I notice there is orientation restraints in 4.3.5 of GMX Manual. But the orientation value is set to be observables of NMR experiments, such as this example: ; ai aj type exp. label alpha const. obs. weight 31 32 1 1 3 3 6.083 -6.73 1.0 But how can I set the observable in my case as it's not an NMR experiment? Any suggestion will be appreciate. Thanks very much Dudu Tong <31%2032%201%201%203%203> -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
