Hi Mark I transfered all the table files with the dos2unix tool, and it worked. Thank you so much!
Best regards! 2012-08-27 toby10222224 Message: 2 Date: Mon, 27 Aug 2012 08:31:55 +1000 From: Mark Abraham <mark.abra...@anu.edu.au> Subject: Re: [gmx-users] User specified potential functions To: Discussion list for GROMACS users <gmx-users@gromacs.org> Message-ID: <503aa3db.2040...@anu.edu.au> Content-Type: text/plain; charset=GB2312 On 25/08/2012 10:28 PM, toby10222224 wrote: > Dear Uses: > I am using "User specified potential functions" with Gromacs-4.5.4. According > to the manual, I wrote a FORTRAN program to generate the table.xvg file. When > I ran mdrun, the error came out as below: > > ...... > Only 7 columns on line 4199 in file table.xvg > Only 7 columns on line 4200 in file table.xvg > Only 7 columns on line 4201 in file table.xvg Some of your lines have 7 columns... > > ------------------------------------------------------- > Program mdrun_mpi, VERSION 4.5.4 > Source code file: /home/wxm/gromacs-4.5.4/src/mdlib/tables.c, line: 366 > > Fatal error: > Trying to read file table.xvg, but nr columns = 8, should be 7 ... but at least one has 8 columns. You need to find and fix it. Make sure you are using unix-style line endings, e.g. with dos2unix tool. Mark > For more information and tips for troubleshooting, please check the GROMACS > website at http://www.gromacs.org/Documentation/Errors > > It says I have 8 column in the table.xvg file, while the right number is 7. I > checked the table.xvg file and it is 7 column. When the original table.xvg > file in GMXLIB directory is used, the same error came out too. Part of the > table.xvg file is below: > > ...... > 3.0000001425E-03 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 > 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 > 3.5000001662E-03 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 > 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 > 4.0000001900E-03 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 > 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 > 4.5000002137E-03 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 > 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 > 5.0000002375E-03 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 > 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 > 5.5000002612E-03 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 > 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 > 6.0000002850E-03 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 > 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 > 6.5000003087E-03 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 > 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 > ...... > 4.7000002232E-02 2.1276594734E+01 4.5269348348E+02 9.2771104806E+07 > 1.1843119200E+10 8.6064778870E+15 2.1973985051E+18 > 4.7500002256E-02 2.1052630579E+01 4.4321325430E+02 8.7063920276E+07 > 1.0997547302E+10 7.5801262138E+15 1.9149791631E+18 > 4.8000002280E-02 2.0833332344E+01 4.3402773655E+02 8.1762178037E+07 > 1.0220271769E+10 6.6850537574E+15 1.6712633600E+18 > 4.8500002304E-02 2.0618555722E+01 4.2512484005E+02 7.6833292574E+07 > 9.5051491454E+09 5.9033548478E+15 1.4606238105E+18 > 4.9000002327E-02 2.0408162296E+01 4.1649308830E+02 7.2247595220E+07 > 8.8466438924E+09 5.2197150150E+15 1.2782974940E+18 > 4.9500002351E-02 2.0202019242E+01 4.0812158147E+02 6.7978046910E+07 > 8.2397628705E+09 4.6210148617E+15 1.1202459739E+18 > 5.0000002375E-02 1.9999999050E+01 3.9999996200E+02 6.3999981761E+07 > 7.6799974465E+09 4.0959976654E+15 9.8303939301E+17 > > > Any suggestions are welcome! > Thank you in advance! > > 2012-08-25 > > > > toby10222224 > -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
