[gmx-users] MD run for octanol system

Hi There, I am trying to run MD simulation for octanol using GROMACS, I have downloaded the octanol.tar.gz from the user contributed section http://www.gromacs.org/@api/deki/files/18/=octanol.tar.gz. When I performed this MD run according to the run input file and molecule topology provided in

Re: [gmx-users] MD run for octanol system

Hi, try converting (trjconv) your trajectory using the flag -pbc res or -pbc mol Esteban -- On Mon, Jul 12, 2010 at 8:45 AM, vivek sharma viveksharma.i...@gmail.comwrote: Hi There, I am trying to run MD simulation for octanol using GROMACS, I have downloaded the octanol.tar.gz from the user