[gmx-users] pdb as topology file

Lishan Yao yaolisha at msu.edu
Tue Apr 6 00:33:01 CEST 2004

   I use g_rms to calculate rmsd between a trajectory and a crystal
structure, by taking the pdb file as the topology file. But
unfortunately, g_rms gives me much lager numbers than what they should
be. What could be wrong?


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