Hi, I run MD production 10ns, and get file: md_0_1.trr, md_0_1.tpr but simulation time is not enough, so I extend the time to 20ns, tpbconv -s md_0_1.tpr -extend 10000 -o md_0_1_next1.tpr and get file: traj.trr, md_0_1_next1.tpr
trajectory cconnection : trjcat -f md_0_1.trr traj.trr -o traj_all_md.trr So, I have a question when I analysis trajectory use g_hbond g_hbond -f traj_all_md.trr -s md_0_1_next1.tpr -num bovin_hnum.xvg at here I use md_0_1_next1.tpr, if is it right ? I have some not sure Thank you! -- View this message in context: http://gromacs.5086.x6.nabble.com/tpr-of-extend-simulation-tp5008506.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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
