[gmx-users] position restraints
hugo at acd.ufrj.br
Thu Mar 14 18:40:27 CET 2002
I have a doubt about position restraints.
First, in the posre.itp, what is the unity of the fx, fy and fz forces? J, kJ or
Second, I want to make position restraints in minimization process. So I used:
define = -DPOSRE
I need to use
constraints = hbonds, all-bonds, h-angles or all-angles (and so I should use a
or I can use
constraints = none ?
Thanks very much for any help and sorry if my questions are too obvious.
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