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[ESPResSo] how to specify normal wall?
From
:
Salvador Herrera Velarde
Subject
:
[ESPResSo] how to specify normal wall?
Date
:
Wed, 17 Jun 2009 18:25:11 -0400
Dear All,
I am trying to to implement the wall normal constraints in one of my scripts, however I run into some troubles.
What I did was:
# Particle potential ( type 0 )
inter coulomb $lb dh $dk $rc
set dc1 [expr {0.8* $bl } ]
constraint wall normal 0 0 -1 dist $dc1 type 1
set dc2 [expr {0.2* $bl } ]
constraint wall normal 0 0 1 dist $dc2 type 2
inter 0 1 wall normal
inter 0 2 wall normal
It is supposed that I have the constraints feature activated, but the result is:
excessive parameter/unknown interaction type "wall" in parsing non bonded interaction
while executing
"inter 0 1 wall normal "
Could you help me to handle this?
thanks a lot for your time,
Salvador
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Axel Arnold
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2009/06/18
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