Hello,
My name is Filip and I have little question about using Ptraj to create
a superimposed trajectory.
My problem : I want to do a trajectory , which every one snapshot is
mass fitted to the first or reference snapshot, thats mean that the
molecule will be superimposed every snapshot to the reference-by using
Ptraj and create a superimposed trajectory without the rotation of the
molecule.The trajectory will stored the coordinates of the fitted
structure every time step-something like mass weight fitted rmsd, but
without calculating the rmsd values, only stored the fitted coordinates.
Thank you for your help
Filip
Received on Tue Jun 10 2003 - 15:53:01 PDT
