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?

This email has been checked for viruses by Avast antivirus software.

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:20:29 CST