this is the sample script,
region box block 0 20 0 20 0 40
region box1 block 0 20 0 20 0 20
region box2 block 0 20 0 20 20 40
group 1 region box1
group 2 region box2
1) fix 4 2 npt temp.......
2) fix 4 all npt temp.......(what is the difference between 1&2)
please assume that i have written whole script. i am writting only some points
then i created atoms in these box1 and box2 region. 1
1)If i apply barostaste or thermostate to only one region by excluding other atoms from time integration so what is the meaning of that? if i have periodic boundary condition. this will fix the another region atoms
2) or if i apply barostate or thermostate to whole simulation box and want fix other half atoms . i tried fix setforce command but still not able to fix the other half
the problem is where it apply barostate/ thermostate it apply on whole simlation box or only on that region which is time integrated?