Hi, -r and -rb are for FEP.
If you want to bias your simulation's sampling, you can use the pull code, essential dynamics sampling or flooding, all of which are described in the manual and literature. Ran Nimesh Jain wrote: > Hello, > > I realize that this topic has been discussed before, but I just need > to ascertain a few things: I have a system of about 1400 atoms with > implicit solvent and I want to do a targeted MD. While doing the > pre-processing, if I just specify "grompp -r in.gro -rb out.gro", is > this sufficient or are there any other things that I need to consider. > Also, I have tabulated potentials. > > If any one knows how to do this, or if you need more info on my > system, please let me know. > > Thanks, > Nimesh -- 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/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
