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On 19/10/2011 9:55 PM, Wright, Louise wrote:
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<p><font size="2">Dear all,<br>
I want to double check, the output from an REMD simulation
with Gromacs is the trajectory at constant Temp and whe you
demux it with demux.pl, this is the trajectory of the replica
which starts at a given tempurature and how it evolves through
time?<br>
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Correct.<br>
<br>
Mark<br>
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For instance, if _0.tpr file corresponds to temp of 300K then
the traj_0.xtc will be the trajectory structures all at temp
300K and after demuxing, a different file labelled for example
0_final_traj.xtc is not at constant temp.<br>
Thanks for the help<br>
Louise<br>
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<br>
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