Hi I think that include =-I/my_working_directory is redundant and that is the fatal error coming from......
without this command (delete from my .mdp file) include =-I/my_working_directory my simulation get run Thanks Lin On 7/3/08, Justin A. Lemkul <[EMAIL PROTECTED]> wrote: > > > Chih-Ying Lin wrote: > > > Hi > > if I am in my working directory, > > and give the command in my .mdp file > > > > include =-I/my_working_directory > > > > > > I will get the following error.... > > Program grompp, VERSION 3.3.3 > > Source code file: grompp.c, line: 469 > > Fatal error: > > number of coordinates in coordinate file (xxx.gro, 24) > > does not match topology (xxx.top, 0) > > > > > > > > > > When you get error messages, the first step should be to do a thorough > search of the wiki (wiki.gromacs.org) and the mailing list archive. If you > had done this, you would have come across: > > http://wiki.gromacs.org/index.php/Errors#Number_of_coordinates_in_coordinate_file_does_not_match_topology > > > > With Justin explaination, > > More or less, yes. By default, Gromacs searches $GMXLIB and the current > > working directory for the necessary topology information. The "include > > = -I" line can be used to specify the location(s) of other necessary > > topologies. > > > > Does it mean that I could simply delete the > > "include=-I/my_working_directory" command?? > > > > > > > > Yes, including the working directory would be redundant. > > -Justin > > > > Thanks a lot > > > > Lin > > > > > > > > -- > ======================================== > > Justin A. Lemkul > Graduate Research Assistant > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > > _______________________________________________ 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
