Hi,
It's actually a bit more nuanced and the use of these idioms is not
really backed by a semantic distinction: In Gromacs, a constraint
fixes some property to a value, whereas a restraint penalizes
deviation of a property from a certain value.
Cheers,
Tsjerk
On Wed, Sep 30, 2009 at 2:03 AM, J
Payman Pirzadeh wrote:
Hi,
I read the wiki and manual on constraint and restraints, and I am still a
bit confused. But, my question is, should I remove the restraints after
equilibration in production phase?
A restraint fixes the position of an atom, or the value of an angle, dihedral,
e
2 matches
Mail list logo
