Hi,
Just kind of confused about the final system pressure in 1st DNA tutorial.
I used the process_mdout.perl to process the polyAT_wat_md2.out,
although the xmgrace plot for the pressure looks the same, but I found
summary_avg.PRES shows -81.6 and summary_rms.PRES shows 301.7.
I realized it is just a short 120 ps test run, but is it safe for me to conclude that the system is stable with
1 bar pressure?
Thanks,
Yao
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Received on Fri Oct 28 2011 - 12:00:03 PDT
