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Sent from my Huawei Mobile Ming Tang <m21.t...@qut.edu.au> wrote: Dear all, I am doing an umbrella simulation, and come across the following error. Command line: g_wham -it tpr-files.dat -if pullf-files.dat -o -hist -unit kCal -b 2000 Found 27 tpr and 27 pull force files in tpr-files.dat and pullf-files.dat, respectively Reading 13 tpr and pullf files Automatic determination of boundaries... ------------------------------------------------------- Program g_wham, VERSION 5.0.4 Source code file: /home/tm/Downloads/gromacs/src/gromacs/gmxana/gmx_wham.cpp, line: 1767 Fatal error: . Should be tpr, xvg, or pdo.0.tpr For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors tpr-files.dat: umbrella0.tpr umbrella137.tpr umbrella155.tpr umbrella163.tpr umbrella169.tpr umbrella174.tpr umbrella179.tpr umbrella185.tpr umbrella199.tpr umbrella206.tpr umbrella223.tpr umbrella239.tpr umbrella257.tpr umbrella275.tpr umbrella291.tpr umbrella308.tpr umbrella324.tpr umbrella344.tpr umbrella369.tpr umbrella383.tpr umbrella392.tpr umbrella422.tpr umbrella450.tpr umbrella463.tpr umbrella479.tpr umbrella497.tpr umbrella499.tpr pullf-files.dat pullf0.xvg pullf137.xvg pullf155.xvg pullf163.xvg pullf169.xvg pullf174.xvg pullf179.xvg pullf185.xvg pullf199.xvg pullf206.xvg pullf223.xvg pullf239.xvg pullf257.xvg pullf275.xvg pullf291.xvg pullf308.xvg pullf324.xvg pullf344.xvg pullf369.xvg pullf383.xvg pullf392.xvg pullf422.xvg pullf450.xvg pullf463.xvg pullf479.xvg pullf497.xvg pullf499.xvg I used this method several times before, and did not come across this problem. could anybody tell me where is the problem? Thanks -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
