[gmx-users] Combining edr files for NPT with different dt values
stephanimacalino at gmail.com
Mon Sep 3 02:10:49 CEST 2018
I am trying to combine edr files using the gmx eneconv command.
I did 6 cycles of equilibration (1 NVT and 5 NPT). The NPT cycles are 2ns
each but the first 2 have a dt of 0.001 while the last 4 have dt of 0.002.
I tried to combine them and check the density using gmx energy command but
I keep getting a file with only 2ns of time included, when it should be
I thought maybe because the dt is different, but when I only combined the
first 2, I still only got 2ns instead of 4ns.
All other parameters are the same for the mdp files of each equilibration
cycle. The only difference are the dt and force constants used.
How can I combine these files so I can analyze my pressure and density
Hope you can help.
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