My initial input file is a model which was generated using Modeller, and it is a part of the original structure. I am considering fragments of a particular structure for my analysis. Could this be a possible problem for running a simulation?? I suppose there is a problem when I try to convert this PDB file into a .gro file. But I have no clue as to what the possible problem could be. The format of my input PDB file is correct.
Also I tried to run a job for the original PDB structure which worked perfectly fine. > [EMAIL PROTECTED] wrote: >> Dear members >> >> I happened to get an error which is as follows : > >> Range checking error: > >> I think it is a problem with energy minimisation and neutralising the >> system. However I tried many ways to solve the issue, it still seems to >> give me the same error. Could anyone suggest what could be the possible >> cause of this error. > > There's a problem with either your original structure, or the topology > with which you're trying to describe its physics. You can find some > clues here http://wiki.gromacs.org/index.php/Errors#mdrun for causes for > similar problems, but without more information, we're guessing. > > Mark > _______________________________________________ > 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 > _______________________________________________ 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
