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
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
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gmx
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