Re: [gmx-users] g_sas -pbc ???

2010-04-09 Thread Mark Abraham
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

[gmx-users] g_sas -pbc ???

2010-04-09 Thread Chih-Ying Lin
Hi g_sas By default, periodic boundary conditions are taken into account. How does g_sas deal with periodic boundary conditions effects? ? ? Take trjconv an example, I have tried trjconv -pbc ( nojump , whole, atom... ) or, trjconv -center . I could not get what i wanted. Thank you Lin -- gmx