[gmx-users] inconsistency in .pdb files

h a y600100 at gmail.com
Thu May 29 22:56:47 CEST 2008


Dear users,

I am a beginner with gromacs. I converted a sample pdb file to gromacs file
using "pdb2gmx" and then converted it back to pdb file using "genconf" but I
found that positions of atoms was changed and so was their thermal factor. I
did not understand why there was change in position of the atoms. when I
observed both of them using pymol I found  inconsistency in type of atoms
and bond locations.

can you please explain why this happened .

thank you,

Harshith
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