Inquiry of fix atoms positions with fix region wall

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1

Dear Sir,

I am using wall/region to build a wall boundary, but at the same time I want to fix some atoms positions near the wall. Usually I use fix setforce to do that, but this time it doesn’t work: even though I used fix setforce to constrain some atom group, they were still pushed away from the wall due to the interaction between the atoms and the wall.

Is there any other ways to fix some atoms unmoved near the wall?

Thanks!

Best Regards,

Zenan Qi

College of Engineering Boston University

8 Saint Marry Street Boston, MA, 02215

U.S.A

2

Dear Sir,

I am using wall/region to build a wall boundary, but at the same time I want
to fix some atoms positions near the wall. Usually I use fix setforce to do
that, but this time it doesn't work: even though I used fix setforce to
constrain some atom group, they were still pushed away from the wall due to
the interaction between the atoms and the wall.

Is there any other ways to fix some atoms unmoved near the wall?

please check the order in which you apply the fixes.
probably your wall fix comes after the setforce fix and
the situation might be resolved by swapping the order.

axel.