You have to collect all of the pdo files into one directory (and so you'll have to rename them if they all have identical names). Then zip them using gzip: gzip *.pdo
Then you can use the g_wham code, something like: g_wham *.gz -bins 1000 -temp 300 -auto >> Hey Mark, >> Appreciate your immediate response.You can find the input and >> the >> error below: >> g_wham -o pmf.xvg -hist pull1.pdo pull2.pdo pull3.pdo pull4.pdo >> pull5.pdo > > g_wham -h suggests that -hist won't accept multiple input files. Only a > few GROMACS utilities will do magic concatenation for you. Have a look at > the file format and see what you need to do with a text editor or command > line tools. > >> Opening file pull2.pdo. >> >> gunzip: stdin: not in gzip format >> ------------------------------------------------------- >> Program g_wham, VERSION 3.3.1 >> Source code file: gmx_wham.c, line: 90 >> >> Fatal error: >> This does not appear to be a valid pdo file >> ------------------------------------------------------- > > Does g_wham -o pmf.xvg -hist pull1.pdo work? > > Mark > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > 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 > _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
