Hi Gromacs Users I'm new for gromacs analysis I'm running MD in a 40 ns time interval. I want to strip the water and re-image the molecule. But I found that only if I trjcat all trajectories from the start I can be able to re-image them. Can someone show me how to re-image them independently? Here is what I want
for every x in 1000 do echo 1 | trjconv -s md.($x+40).tpr -f md.($x+40).xtc -o strip.($x+40).xtc -pbc nojump # strip water and re-image done thanks ase -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
