Hello!
I had the same problem and I discovered that my system is too big and my computer does not have
enough memory for such big system.
Now I am doing the calculation considering just CA atoms and not all the atoms.
regards
Francesca
________________________________________
Von: Neha Gandhi [n.gandhiau.gmail.com]
Gesendet: Mittwoch, 26. Oktober 2011 10:50
Bis: AMBER Mailing List
Betreff: [AMBER] quasi-harmonic analysis
HI,
I am using AMBER 11 and Ambertools 1.5. I am trying to run entropy
calculations using quasi-harmonic appoximation. I get similar errors as
reported earlier (
http://archive.ambermd.org/201108/0152.html). The entropy
is zero. I couldn't find any errors in output files. Unfortunately, I cannot
attach input files here due to their size.
Awaiting your positive reply,
Regards,
Neha Gandhi
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Received on Wed Oct 26 2011 - 02:00:03 PDT
