On Thursday, January 26, 2012 at 12:50 AM, Tom <dna...@gmail.com> wrote:
> Dear Bruce and Gromacs Users, > > i am a new user of topolbuild. > I am trying to use topolbuild to build *top file, but there is a fatal error > report: > ----------------------------------- > ./topolbuild -n lipid -dir > /home/machine/TOM/Study/topbuild/topolbuild1_3/topolbuild1_3/dat/gromacs -ff > oplsaa > Fatal error. > Source code file: readmol2.c, line: 347 > Illegal characters for size information line in mol2 file. > ------------------------------------ The error is on the line that reads 295 296 The error means that the line giving the number of atoms and number of bonds contains characters that are not any of the digits 0123456789, spaces, tabs, or the line feed that marks end of line. This typically happens when one has produced a Microsoft Windows compatible file that terminates lines with a carriage return and line feed or a Macintosh compatible file that terminates lines with carriage return instead of line feed. Probably the file was generated as Microsoft Windows compatible and you should run the dos2unix script on the file before submitting it to topolbuild. If this does not correct the problem, you will need to view the file in a unix text editor to see where the illegal characters are. -- Bruce D. Ray, Ph.D. Associate Scientist IUPUI Physics Dept. 402 N. Blackford St Indianapolis, IN 46202-3273
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