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

avinash kumar avinashk.iit.kgp at gmail.com
Sun Oct 21 19:13:58 CEST 2007

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 ?

Thank you,
eagerly waiting for a reply,
Avinash Kumar
IIT Kharagpur
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