namdplot

From: vivek sharma (vivek.sharma_at_helsinki.fi)
Date: Thu Dec 09 2004 - 02:13:26 CST

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Sir,

I have two queries;

1. I ran constant temperature dynamics and now want to plot the details
using namdplot. I have dowloaded the script and when I run namdplot using
the statement mentioned below;

namdplot TEMP config_another.log

It generates the following output in console
------------------------
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP
TOTAL2 TOTAL3 TEMPAVG
Plotting TEMP vs TS
[1] 4169
[vsharma_at_delphi NAMD]$ parse error: LEGEND
Can't stat file on
parse error: S0
Can't stat file LEGEND
Can't stat file "TEMP"
parse error: S0
Can't stat file LEGEND
Can't stat file "TEMP"
parse error: S0
Can't stat file LEGEND
Can't stat file "TEMP"
parse error: S0
Can't stat file LEGEND
Can't stat file "TEMP"
parse error: S0
Can't stat file LEGEND
Can't stat file "TEMP"
parse error: S0
Can't stat file LEGEND
Can't stat file "TEMP"
parse error: S0
Can't stat file LEGEND
Can't stat file "TEMP"
parse error: S0
Can't stat file LEGEND
Can't stat file "TEMP"
parse error: S0
Can't stat file LEGEND
Can't stat file "TEMP"
parse error: S0
Can't stat file LEGEND
Can't stat file "TEMP"
parse error: TITLE
Can't stat file "config_another.log"
parse error: SUBTITLE
Can't stat file ""
parse error: XAXIS
Can't stat file LABEL
Can't stat file "TS"
parse error: XAXIS
Can't stat file TICKLABEL
Can't stat file FORMAT
Can't stat file DECIMAL
parse error: XAXIS
Can't stat file TICKLABEL
Can't stat file PREC
Can't stat file 0
parse error: YAXIS
Can't stat file TICKLABEL
Can't stat file FORMAT
Can't stat file DECIMAL
parse error: YAXIS
Can't stat file TICKLABEL
Can't stat file PREC
Can't stat file 0
--------------------------
and grace is loaded but I cant see the curve or plot. I am a newbie to this,
please explain, what is the problem?
----------------------------------------------------------------------------
----------------------------------------------------------------------------
2. Also I want to know is there a way to run NVT ensemble in NAMD, I see the
methods and options for constant Temperature and constant Pressure, but not
for constant volume. Please explain briefly.

Thanking you,

sincerely

Vivek (NAMD newbie)

-- 
VIVEK SHARMA
HBG BI

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