[gmx-users] Missing atom in residue

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


Hi,

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

-- 
Jack

http://www.facebook.com/home.php#/profile.php?id=832713248
http://hydrogenathome.org



More information about the gromacs.org_gmx-users mailing list