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

Tue Dec 9 17:10:02 CET 2003

And if that doesn't work, it could be that the .trr file is just too big for 
gromacs to handle. I've gotten the same error message, and have had to split 
the .trr file into smaller pieces to make commands work.

Tam

Quoting Stud_Psychopharm <stu_psyc at nimhans.kar.nic.in>:

> 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),
> Bangalore-560029,
> 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>
> > <P><STRONG></STRONG> </P></div><br
> > clear=all><hr>Ê¹ÓÃÊÀ½çÉÏ×î´óµÄµç×ÓÓÊ¼þÏµÍ³¡ª   <a
> > href="http://g.msn.com/8HMACNCN/2749??PS=">MSN Hotmail </a> Get 2
> > months FREE*. </html>
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