>the last lines gives 0.000 0.000 0.0000 in my file and in the examples it is not. >I assume it is the dimension of the box, isn' it?
That is correct. So that full explains what you see occuring. >I built up the gro file using editconf -f *.pdb file. You need to specify the size of the box with editconf. Type "editconf -h" and that will tell you the various options available. You will probably need to do something like "editconf -f filename.pdb -o filename.gro -box 2 2 2" Catch ya, Dr. Dallas Warren Lecturer Department of Pharmaceutical Biology and Pharmacology Victorian College of Pharmacy, Monash University 381 Royal Parade, Parkville VIC 3010 [EMAIL PROTECTED] +61 3 9903 9524 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
