[gmx-users] How to constrain some angles?
Mark.Abraham at anu.edu.au
Tue Jul 24 10:53:21 CEST 2012
On 24/07/2012 6:42 PM, Wu Chaofu wrote:
> Dear gmxers,
> For some purpose, I want to constrain some angles. Note that it is
> "some" but not "all", and "constrain" but not "restrain". How to do
> with it?
As discussed earlier today on the list, you need to use a triangle of
bond constraints to constrain an angle, and there are some cases where
using virtual sites is best.
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