Hi, I'm doing the KALP-15 IN DPPC through the Justin's tutorial http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/03_solvate.html
After generating the new position restrain file, I start to energy minimization to get the correct area per lipid. As below: Scale the lipid positions by a factor of 4: perl inflategro.pl system.gro 4 DPPC 14 system_inflated.gro 5 area.dat LOOP : Energy minimization with restrained protein grompp -f minim.mdp -c system_inflated.gro -p topol.top -o em.tpr -maxwarn 1. after using the above command I got error like this Fatal error: [ file strong_posre.itp, line 143 ]:Atom index (139) in position_restraints out of bounds (1-138). 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. Please help me how to solve this -- View this message in context: http://gromacs.5086.x6.nabble.com/KALP-in-DPPC-tutorial-reg-tp5011795.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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