Hello, I am trying to rotate my protein in my simulation box (solvent molecules are there as well). I issue the following command: editconf_d_mpi -f AFPIII_Ih0001_54_26_em.gro -n protein.ndx -rotate 15 180 0 -o AFPIII_Ih0001_54_26_rotated.gro -box 5.40022 6.23564 20.59328
I select my group (protein) in the first group selection prompt and whole system as output in the second prompt. However, in the output file the whole system is rotated rather than protein only. Also, despite the -box switch used, the dimensions of the box changes. Is there any ideas on what I am missing in my procedure? Regards, Paymon -- 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
