[gmx-users] Re: Extending the simulation

[bharat gupta]

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 : monu46010 at yahoo.com
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