On 3/06/2011 3:42 PM, Kavyashree M wrote:
Dear users,
I wanted to ensure that the option of -pbc in trjconv is only for
visualization,
and if I do all possible calculations with the original .xtc file
there wont be any
problem.
-pbc is for any purpose you can think of. Some analyses of periodic
simulations only make sense for some representations of the unit cell.
Some don't. Read about the tool, think carefully, then act :-)
Mark
--
gmx-users mailing list gmx-users@gromacs.org
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 gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
