Hi, I am trying to use inflategro to efficiently insert my protein into lipid bilayer. I have been following the KALP-15 in DPPC tutorial to do so.
However, after running the perl script for the first time, I am not able to perform energy minimisation. The error message that I get when I pre process my files for EM is as follows: "Fatal error: [ file strong_posre.itp, line 294 ]: Atom index (290) in position_restraints out of bounds (1-289). This probably means that you have inserted topology section "position_restraints" in a part belonging to a different molecule than you intended to. In that case move the "position_restraints" section to the right molecule." I wonder if any one could help me with it. Cheers ______________________________________________________________________ The information in this email is confidential and intended solely for the addressee. You must not disclose, forward, print or use it without the permission of the sender. ______________________________________________________________________ -- 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
