[gmx-users] Qeury on freezing an atom with negatice co-ordinates
avinashk.iit.kgp at gmail.com
Sun Oct 21 19:13:58 CEST 2007
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 ?
eagerly waiting for a reply,
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users