By the way I also wounder to know how I could keep my system after equilibration.
E.g I've equilibrated CCl4+water system and obtain stabile system on desired timescale. Than I've used genbox to merge my pre-oriented peptide with the pre-equilibrated system. genbox -cp peptide_newbox.gro -cs CCl4_water_box.gro -o peptide_in_box.gro As the consequence I've obtained system with peptide inserted in CCl4 but without water layer. Is there any way to preserve water layer during Genbox peptide insertion? James
-- 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
