Dear gmx-users,
I'm working with constraint forces.
I've three DNA molecules: DNA1, DNA2, DNA3.
DNA1 is the reference_group, instead the other two molecules are the
constrained groups.
DNA has a net negative charge, so the molecules should reject
themeselves; but the output file (pull.pdo) of the dynamic (where each
step show the necessary force to constraint the molecules) has a lot of
negative value of force (meaning an attraction between the molecules...).
The mean value of this force is negative in some case...
What does it mean?
How can I exctract the true force to constraint the molecules?
Thanks in advance
Beniamino Sciacca
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