Hello all
I am running AMBER ADVANCED TUTORIALS TUTORIAL 3 - SECTION 3.5 Nmode analysis.
Here I am confused about number of frames, numberof processor and thread.
Input file is:
Input file for running entropy calculations using NMode
&general
endframe=50, keep_files=2,
/
&nmode
nmstartframe=1, nmendframe=50,
nminterval=5, nmode_igb=1, nmode_istrng=0.1,
/
progress.log file is:
50 frames were read in and processed by ptraj for use in calculation.
Processing 10 frames with normal mode analysis.
Starting calculations
Starting nmode calculations...
master thread is calculating 2 frames
I am running it in 5 processor.
Here total frames processed are 10 then why calculation only for 2 frames.
What is mean by "thread" in progress.log?
So can anybody sugesst me to clear it.
Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH
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Received on Wed Apr 13 2011 - 01:00:02 PDT
