Quoting sudheer babu <[EMAIL PROTECTED]>: > Thanks for your reply, > I am mentioning commands, from crashing the simulation > 1. tpbconv -f protein.trr -s protein.tpr -e protein.edr -n index.ndx -o > out.tpr
You didn't tell tpbconv how long to continue the simulation. Use tpbconv -until 1000 -Justin > 2.mdrun -v -deffnm -o out.tpr > 3.trjcat -f 633ps_pro.xtc 1ns_pro.xtc -settime -o > it asked time I mentioned 0 and 633, then it shown that 900ps trajectory > files wirte into trjout.xtc > 4.g_rms -f trjout.xtc -s em_wat.gro -pbc -o 1ns_rmsd > 5. by using this plotted graph it shown values till 900ps on x-axis in > gnuplot > is there any way to get 1000ps simulation values? > Thanks in advance. > ======================================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ======================================== _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
