From: Blake Charlebois (bdc_at_mie.utoronto.ca)
Date: Thu Dec 09 2004 - 07:15:41 CST
Hi,
Regarding your first question, have you tried using namddat? The script is
similar to namdplot, but it outputs to a file with name data.dat instead of
plotting results in grace. Determining whether namddat works will help you
narrow down the problem.
Blake
-----Original Message-----
From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf
Of vivek sharma
Sent: December 9, 2004 3:13 AM
To: namd-l_at_ks.uiuc.edu
Subject: namd-l: namdplot
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
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:38:03 CST