[gmx-users] g_sas -pbc ???
Mark.Abraham at anu.edu.au
Sat Apr 10 08:40:11 CEST 2010
On 10/04/2010 2:35 PM, Chih-Ying Lin wrote:
> 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.
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