On 10/27/19 1:45 AM, Anh Vo wrote:
Hi everyone,
When I use gmx energy to extract pressure for stress calculation from .edr
file,
I see those options: 15.PRESSURE, ..., 33.PRESS-XX, 34.PRESS-XY,
35.PRESS-XZ, 36.PRESS-YX, 37.PRESS-YY, 38.PRESS-YZ, 39.PRESS-ZX,
40.PRESS-ZY, 41.PRESS-ZZ.
1.
Hi everyone,
When I use gmx energy to extract pressure for stress calculation from .edr
file,
I see those options: 15.PRESSURE, ..., 33.PRESS-XX, 34.PRESS-XY,
35.PRESS-XZ, 36.PRESS-YX, 37.PRESS-YY, 38.PRESS-YZ, 39.PRESS-ZX,
40.PRESS-ZY, 41.PRESS-ZZ.
1. What is the relation/difference between
