Dear Tsjerk I did what you said:
1. trjconv -f a.xtc -s a.tpr -o 1.xtc -pbc nojump (system for output) 2. trjconv -f a.xtc -s a.tpr -o 2.xtc -pbc mol –center (pr/dna for centering, system for output) Now, I need new trajectory file for analysis. How I obtain new trajectory file from these two trajectories (1.xtc and 2.xtc) during simulation time? thanks for your help.
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