Hi, I’m new user of Gromacs and I need extend a simulation of 1000ps. On Gromacs 5.0.5 I use this command line as tutorial said.
gmx convert-tpr -s md_0_1.tpr -extend 1000 -o md_0_2.tpr gmx mdrun -v -s md_0_2.tpr -cpi md_0_1.cpt -append It produced the md_0_2.tpr , but when I run rms command to watch the state of RMSD, it show only first 1000 ps, not from 0 to 2000 ps. Why? What is the command I have to use? to view rmds I use this command line: gmx rms -s md_0_2.tpr -f md_0_1.xtc -o rmsd.xvg Thanks a lot. Andrea Spinelli Please do not print this email unless really need to. Save paper, save trees, save space, save money - life matters. -- 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.
