Re: difference between constraining,restraining and fixing the atoms

From: Fotis Baltoumas (
Date: Thu Aug 03 2017 - 23:33:22 CDT


When using fixedAtoms, the atoms defined as fixed never move at all.
When using constraints, the constrained atoms DO actually move, but
their movements are constrained with a force defined by the user.

The choice of using one or the other purely depends on the situation.


On 04-Aug-17 09:25, wrote:
> I want to know, what is basically the differnce between
> constraint/restraint and fixed atom command, and how one can decide which
> command to be used in a particular situation?

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