Dear Sir,
I am doing fullerene interaction with DMPC , i downloaded the gro file from the website mentioned in the tutorial. I was keep the fullerene on the top of DMPC. But in the gro file already water is present. If i removed that water molecules and adding new water molecules by using genbox command and afetr the running energy minimization the lipid structure was collapsed. it is not like initial structure and some gaps were found in the middle of membrane. By keeping the water molecules as such from the gro file and i keep the fullerene above the membrane then the presented water molecules were randomly distributed inside the membrane, and structure of water was distrubed. If i added water using genbox to the membrane( with water from gro file), there is a seperation found between two water layers. Energy minimization was not running in all above cases. How can i run this simulation please suggest me Is there any tutorial like this simulation. Thank You. -- regards M.SathishKumar -- 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