I think you can use the command "trjcat -f MD1.xtc MD2.xtc -o MD.xtc", you will get one xtc data. ________________________________ From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] On Behalf Of shiva birgani [sh.birg...@gmail.com] Sent: Monday, December 06, 2010 3:16 PM To: gmx-users Subject: [gmx-users] Crashed run
Dear Justin I had a crashed run and continued it by tpbconv and mdrun. After that in order to analysis the results of new MD run I used of this command trjcat -s md2.tpr -settime But when I want to compute RMSD, DSSP, ... I do not know how I can put together the results of MD1 (crashed run) and MD2 (continued one) to have the homogeneous results. Could you please help me in this regard? thanks in advance Shiva ________________________________ CONFIDENTIALITY: This email is intended solely for the person(s) named and may be confidential and/or privileged. If you are not the intended recipient, please delete it, notify us and do not copy, use, or disclose its content. Thank you. Towards A Sustainable Earth: Print Only When Necessary
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