[gmx-users] System coordinates not getting freezed

[Mark Abraham]

You're just trying to measure a potential energy, so do it the right way
and don't get involved wiht making mistakes trying to freeze atoms. See
http://www.gromacs.org/Documentation/How-tos/Single-Point_Energy

Mark


On Mon, Apr 21, 2014 at 7:38 AM, sukriti002 <sukriti002 at e.ntu.edu.sg> wrote:

> Hi everyone,
>
> My system contains one copper ion and one water molecule with no solvent. I
> considered complete system as one group and freezed the system. But the
> coordinates are not getting fixed. Also when i took the same mdp file with
> 2
> copper ions instead of one cu and one water, the system was getting frozen.
> Can anyone please let me know what is the problem.
>
> Regards
> Sukriti
>
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