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 -- 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 : [email protected]
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