[gmx-users] g_sas -pbc ???

Mark Abraham 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:
> 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.


More information about the gromacs.org_gmx-users mailing list