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: [email protected] > From: [EMAIL PROTECTED] > 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 _________________________________________________________________ 新年换新颜，快来妆扮自己的MSN给心仪的TA一个惊喜！ http://im.live.cn/emoticons/?ID=18 _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
