Dear all, I tryed to use "couple-moltype=Protein Ligand" directive to annihilate both protein and ligand molecules using free energy method. I realized that couple-moltype key works for only one molecule type. Is it right?
To perform the same annihilation I used "couple-moltype=Protein" to annihilate the protein and dual topology formalism (definied in itp file) to annihilate the ligand. Are these commands able to work together? Thanks Luca -- 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
