[gmx-users] Qeury on freezing an atom with negatice co-ordinates

[Mark Abraham]

> Respected members,
>
>         I am trying to freeze a group of atoms during a particular
> simulation . It happens that the some of the atoms in the group have
> negative co-ordinates. After the simulation is completed the resultant
> .gro
> file reveals that all the atoms in the freeze group with positive
> co-ordinates remain unchanged but the atoms with negative co-ordinates
> have
> theit positions changed . This indicates that desired action is not
> produced. Does this mean that GROMACS does not support this feature and I
> should simple translate the co-ordinates ?

Are they the same, modulo your
http://wiki.gromacs.org/index.php/Periodic_Boundary_Conditions?

Mark