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?
On Tue, Jul 1, 2008 12:12 PM, LuLanyuan <[EMAIL PROTECTED]> wrote: > 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 > >_________________________________________________________________ >���껻���գ����ױ���Լ���MSN�����ǵ�TAһ��ϲ�� >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 > > > ______________________________ 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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