Dear users, I'm simulating a system of protein/water/popc/ions. The peptide is inserted through the transmembrane, and the peptide acts as a channel. In order to reduce the trajectory storage volume, I need to use xtc-grps in .mdp file. In my system, I'd rather to store the positions of peptide,ions and waters "near" the peptide (I mean a specific region near the peptide: entrances of peptide + through the peptide).The large amount of water molecules positions exist up and down the bilayer, are not expected to be saved. I'm wondering if it is possible to chose a specific region in xtc-groups? Or any other solution to reduce the storage volume of trr file?
Any suggestions would be appreciated. Sincerely, Shima -- 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
