That would be pbc (periodic boundary conditions), not pdc (who knows what that is), of course . . .
On 3/30/06, Michael Shirts <[EMAIL PROTECTED]> wrote: > So, to get a truncated octahedron, or some other shape, you use > certain ratios for the box vectors as detailed in the manual. But the > box vectors in the .gro file are truncated to a certain precision, so > don't exactly meet these ratios. What is the consequence of not > exactly meeting these ratios? It won't precisely fill space in a > periodic way -- so does it mess up the pbc in some way? Anyone know? > Any experiences? Should I make sure the ratios are correct up to > machine precision? Is there a way to handle this more robustly? > > Thanks, > Michael Shirts > Research Fellow > Columbia University > _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
