Dear Gromacs list I would like to ask a question regarding the global rotation and translation removal in GROMACS.
In my mdp file I use the following options: ; mode for center of mass motion removal comm-mode = Linear ; number of steps for center of mass motion removal nstcomm = 10 ; group(s) for center of mass motion removal comm-grps = Are these options ensuring that global rotation and translation is removed every 10 steps? Is the trjconv command (as issued below) also removing global rotation and translation? trjconv -f traj_Total.xtc -s prod1.tpr -o rot+trans.xtc -fit rot+trans In which case is the "-center" option in trjconv is used? Thanks. George -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
