[gmx-users] Missing atom in residue

Jack Shultz jshultz at hydrogenathome.org
Mon Mar 30 20:23:20 CEST 2009


What are some of the ways used to fix these problems? Do you manually
manipulate these files to add missing residues or are there any
automated methods? I tried ignoring it with -missing, which is
probably a bad way to treat this error. Still that did not ignore the
error. Does this require a custom script for adding atoms?

Atom CG not found in residue ARG94 while adding hydrogens



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