I'd like to have my structure centered on 0 0 0 . The solvated structure is completely off. My protein is at the center, but the solvation shell is way off center.
I just dont understand why genbox isn't recognizing the previous editconf step. Ok, I'll try solvating first then using editconf. > Arneh Babakhani wrote: >> Hi, >> >> I'm using editconf to center my sytem about the origin (0 0 0). No >> problem there. >> >> But then when I use genbox to solvate the resulting structure, the >> solvent >> is offset (not centered about 0 0 0). Is there a way to correct this? > > Have you tried editconf on the solvated structure? Why does it matter > anyway? > > Mark > _______________________________________________ > gmx-users mailing list [email protected] > http://www.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 [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > _______________________________________________ gmx-users mailing list [email protected] http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
