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
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