[gmx-users] Why can't find .trr file?

Stud_Psychopharm stu_psyc at nimhans.kar.nic.in
Tue Dec 9 10:14:00 CET 2003

try once agin trjconv by giving *.tpr file also.
for example give like this "trjconv -f *.trr -s *.tpr -o *.xtc"

"The more we learn the more we realize how little we know." - 
R.Buckminster Fuller 

Blaise M.
Graduate Student,
Department of Psychopharmacology,
National Institute of Mental Health And Neuro Sciences (NIMHANS),
India. Tel: 91 80 6995112.

-----Original Message-----
From: "wang chuanming" <chuanmingwang at hotmail.com>
To: gmx-users at gromacs.org
Date: Tue, 09 Dec 2003 14:11:38 +0800
Subject: [gmx-users] Why can't find  .trr file?

> <html><div style='background-color:'><DIV class=RTE>deal all </DIV>
> <DIV class=RTE> </DIV>I have finished dynamics simulation of RNA
> using gromacs force field.  when i analyse the results,i
> fould the .trr file is very huge (<STRONG>5.3G</STRONG>).So,i use the
> command "trjconv" to compress the file in order to minimize the space
> of the disk. 
> <DIV></DIV>
> <DIV></DIV><STRONG>[root at localhost root]# trjconv -f 2_md.trr -o
> 2_md.xtc </STRONG>
> <DIV></DIV>
> <DIV></DIV>
> <P>but when i hit the enter, there are "fatal error"as follows: </P>
> <DIV></DIV><STRONG>Will write xtc:compressed trajectory(portable xdr
> format) </STRONG>
> <DIV></DIV>
> <P><STRONG>Fatal error :File 2_md.trr not found.</STRONG></P>
> <P>next,i use the linux command "ls" looking for 2_md.trr in root
> directory:</P>
> <P><STRONG>[root at localhost root]#ls</STRONG></P>
> <P>To my surprise,there is 2_md.trr file in root
> directory!! </P>
> <P>I want to know what happen to this and how to solve this
> problem.</P>
> <P>(I process this dynamic simulation using a single computer with
> 256M memory,1.7G CPU and 40G disk space)</P>
> <P>Thanks in advance!  </P>
> <P><STRONG></STRONG> </P></div><br
> clear=all><hr>ʹÓÃÊÀ½çÉÏ×î´óµÄµç×ÓÓʼþϵͳ¡ª   <a
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