On 10/04/2010 2:35 PM, Chih-Ying Lin wrote:
Hi
g_sas
By default, periodic boundary conditions are taken into account.
How does g_sas deal with periodic boundary conditions effects? ? ?
By recognizing that surfaces can cross periodic boundaries.
Take trjconv an example, I have tried trjconv -pbc ( nojump , whole,
atom... )
or, trjconv -center . I could not get what i wanted.
So how is this description supposed to get you any help? We've no idea
what you're trying to do, what you've tried or why you think it didn't
work. :-) Searching the mailing list for trjconv advice would have shown
you lots of posts, along with the advice that some complex results
require two-stage applications of trjconv to succeed.
Mark
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