Dear all,
In the manual, it says :
If a group contains part of a molecule of which the bondlengths are
constrained, the results may be unreliable.
I'm a little confused.
Let's think of the following two cases (A: the reference group, B: a
group which will be pulled) :
1) A(partially constrained) + B (no constraints)
2) A(no constraints) + B(partially constrained)
Does it mean that both pmf calculations are not reliable ? Should I use
the free energy code for both cases ?
Any comments would be appreciated.
Thank you.
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