Hi all, I have my box defined at the end of my pdb file as (lenghts in Angstrom)
AXAYAZt 70.0000 70.0000 112.0777 5800.0000 In the gro file (produced by pdb2gmx) I get 2.51900 2.84400 6.80610 on the last line. Is this my box reduced to the size of the molecule? Or what does this represent? Should I run now editconf and define the box there (in nm)? Would (a,b,c) (the box vector lenghts) will be the initial lenghts (70,70,112.0777) divided by 10 (the convertion from Angstrom to nm) or is there another rule? Or can I specify somehow the box coordinates (vector lenghts and angles) already when I run pdb2gmx? Thank you in advance for any contribution. Best regards, Andrea _______________________________________________ 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
