Ya I found that the new trajectory is saved with name traj.trr and traj.xtc ... and I remember I saved the new tpr file as next.tpr..
Now I want to merge the two trajectories and the two .tpr files... I found trjcat can be used ... I used the following command: - trjcat -f1 md_0_1.xtc -f2 traj.xtc -o trjout.xtc but its giving error .. Can u tell me how to merge both the .tpr and .xtc files On Fri, Feb 11, 2011 at 3:34 AM, Mark Abraham <mark.abra...@anu.edu.au>wrote: > On 11/02/2011 8:10 PM, bharat gupta wrote: > > Hi, > > I extended by 3ns simulation by 2 more ns ... i.e total 5 ns but the .xtc > file shows only the 3ns trajectories and after checking the md.log file , > its showing that it completed those 2 ns steps also... then how can I get > the trajectory for those 2ns ... I used the following commands for extending > the simulation ... > > tpbconv -s previous.tpr -extend timetoextendby -o next.tpr > mdrun -s next.tpr -cpi previous.cpt > > > I do not understand how the next.log can show "that it completed those 2 ns > steps also". > > The old .xtc files will probably have been renamed. Exactly what name > varies with GROMACS version. > > Mark > > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- Bharat Ph.D. Candidate Room No. : 7202A, 2nd Floor Biomolecular Engineering Laboratory Division of Chemical Engineering and Polymer Science Pusan National University Busan -609735 South Korea Lab phone no. - +82-51-510-3680, +82-51-583-8343 Mobile no. - 010-5818-3680 E-mail : monu46...@yahoo.com
-- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
