<div>Hello,<br><br>I am having trouble analyzing the XXX.pdo file output from
my mdrun simulation using the g_wham command. Specifically, my command
entered is:<br><br>g_wham pull.pdo -o pull1.xvg<br><br>The error given
is:<br><br style="font-style: italic;"><span style="font-style:
italic;">Opening file pull.pdo</span><br style="font-style: italic;"><span
style="font-style:
italic;">_____________________________________________________</span><br
style="font-style: italic;"><span style="font-style: italic;">Program g_wham,
VERSION 3.3.3</span><br style="font-style: italic;"><span style="font-style:
italic;">Source code file: gmx_wham.c, line 89</span><br style="font-style:
italic;"><br style="font-style: italic;"><span style="font-style:
italic;">Fatal error:</span><br style="font-style: italic;"><span
style="font-style: italic;">This does not appear to be a valid pdo
file</span><br style="font-style: italic;"><span style="font-style:
italic;">_____________________________________________________</span><br
style="font-style: italic;"><br style="font-style: italic;"><span
style="font-style: italic;">"Motherhood Means Mental Freeze" (The
Breeders)</span><br style="font-style: italic;"><br><br>I've looked into the
gmx_wham.c file and found that line 89 corresponds to:<br><br><span
style="font-style: italic;">if(strcmp(Buffer1,"UMBRELLA")) </span><br
style="font-style: italic;"><span style="font-style:
italic;"> fatal_error( 704 ,"This does not appear to be a
valid pdo file");<br><br><br></span>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.<br>______________________________<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>