<div>I've also tried to gzip the files, and subsequently use the same command
line as below with the zipped file. Same problem. Any other
ideas?<br><br>On Tue, Jul 1, 2008 12:12 PM, <b>LuLanyuan
<lulanyuan@msn.com></b> wrote:<br><blockquote id="quoted_response"
style="border-left: 1px solid rgb(0, 0, 0); padding-left: 3px; padding-right:
0px; margin-left: 3px; margin-right: 0px;">
<pre>
I remember that at least for the old version of g_wham, you need to gzip the
pdo files first.
Lanyuan Lu
________________________________
> Date: Tue, 1 Jul 2008 11:38:18 -0400
> To: gmx-users@gromacs.org
> From: vuh105@psu.edu
> Subject: [gmx-users] g_wham command issues
>
> Hello,
>
> I am having trouble analyzing the XXX.pdo file output from my mdrun
simulation using the g_wham command. Specifically, my command entered is:
>
> g_wham pull.pdo -o pull1.xvg
>
> The error given is:
>
> Opening file pull.pdo
> _____________________________________________________
> Program g_wham, VERSION 3.3.3
> Source code file: gmx_wham.c, line 89
>
> Fatal error:
> This does not appear to be a valid pdo file
> _____________________________________________________
>
> "Motherhood Means Mental Freeze" (The Breeders)
>
>
> I've looked into the gmx_wham.c file and found that line 89 corresponds to:
>
> if(strcmp(Buffer1,"UMBRELLA")
> fatal_error( 704 ,"This does not appear to be a valid pdo
file");
>
>
> I'm not sure of what this means. I've noticed that others have had this
issue in the past, and am hoping someone has found my mistake. Formatting of
my .pdo file maybe? If this is the case, can anyone provide sample .pdo file
to compare with my own? Any help is appreciated.
> ______________________________
>
> Venkatesh Hariharan
> Pennsylvania State University
> Schreyer Honors College
> Undergraduate - Bioengineering
>
> "You must be the change you wish to see in the world."
> --Mohandas Karamchand Gandhi
_________________________________________________________________
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</pre></blockquote>______________________________<br><br>Venkatesh Hariharan<br>Pennsylvania State University<br>Schreyer Honors College<br>Undergraduate - Bioengineering<br><br>"You must be the change you wish to see in the world."<br>--Mohandas Karamchand Gandhi<br><br><br></div>