> The error would imply that the box you have set up is < 2.0 nm, given the
> cutoffs here. How did you define the box (editconf command)? What is your
> box
> size (last line of the .gro file or in the header of a .pdb)?
>
> -Justin
okey.. I got it under control. The problem was.
1. created a good box widths.. went upto 30nm with editconf and box vector
2. (Made a mistake while adding ions with genion): saved the file as pdb
instead of gro!!
3. was trying grompp with the pdb file (So I have no idea what grommp found
different in a file with/witout ions)
Thanks for hinting on the last line of gro. (still I think it is probably a bug
or feature)
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
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 [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
