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<br>> The error would imply that the box you have set up is < 2.0 nm, given the <br>> cutoffs here. How did you define the box (editconf command)? What is your box <br>> size (last line of the .gro file or in the header of a .pdb)?<br>> <br>> -Justin<br><br>okey.. I got it under control. The problem was.<br><br>1. created a good box widths.. went upto 30nm with editconf and box vector<br>2. (Made a mistake while adding ions with genion): <b>saved the file as pdb instead of gro!!</b><br>3. was trying grompp with the pdb file (So I have no idea what grommp found different in a file with/witout ions)<br><br>Thanks for hinting on the last line of gro. (still I think it is probably a bug or feature)<br><br><br>                                            </body>
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