From: Leonardo Sepulveda Durán (leonardosepulveda_at_gmail.com)
Date: Tue May 24 2005 - 16:34:24 CDT
Hello people!!!
I have done some simulations with namd and I wanted to extract basic
features from it. I Read a suitable way for it is using "namddat". I
downloaded it from
http://www.ks.uiuc.edu/Research/namd/utilities/namddat.
When I used it on a bash shell it give me the following output
[leonardo_at_rna1 NVT]$ namddat
Usage: /home/leonardo/LEONARDO/SCRIPTS/NAMD/namddat [zero] [diff]
[<yfield> [<yfield> ...] [vs <xfield>]] <file>
[leonardo_at_rna1 NVT]$ namddat TEMP nvt.log
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC
TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG
GPRESSAVG
Calculating average of TEMP
[leonardo_at_rna1 NVT]$ more data.dat
TS TEMP
So, the time series is not constructed. Only Headers are printed. Does
someone knows where the problem is????
Gracias
~~~~~~~~~~~~~~~~~~~~~~~~~
Leonardo Andres Sepúlveda Durán
Graduado de Bioquimica
Universidad de Chile
~~~~~~~~~~~~~~~~~~~~~~~~~
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