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On 11/02/2011 8:10 PM, bharat gupta wrote:
<blockquote
cite="mid:AANLkTikrLZpbvgHJXP1Nt0XFCE8B+FsUSSbBt__-rPWv@mail.gmail.com"
type="cite"><span class="Apple-style-span" style="border-collapse:
collapse; font-family: arial,sans-serif; font-size: 13px;">Hi,
<div><br>
</div>
<div>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 ...</div>
<div><br>
</div>
<div>
<div>tpbconv -s previous.tpr -extend timetoextendby -o
next.tpr</div>
<div>mdrun -s next.tpr -cpi previous.cpt</div>
</div>
</span></blockquote>
<br>
I do not understand how the next.log can show "that it completed
those 2 ns steps also".<br>
<br>
The old .xtc files will probably have been renamed. Exactly what
name varies with GROMACS version.<br>
<br>
Mark<br>
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