[gmx-users] H-Db error
Mark.Abraham at anu.edu.au
Sun Jul 19 16:15:39 CEST 2009
nikhil damle wrote:
> Thanks for the reply. I am trying to add N-H hydrogen of a residue which is tab separated formate; just like other residues. if i remove this H from .hdb file, file can be read and pdb2gmx gives missing atom error. But when i have it in the file, it can not read it. if there were version related problem, it should give same error even after removing this H. i m using Gromacs-4.0.5 on linux machine. so no OS related problems possible
OK, so you've broken the format. Read about it in chapter 5 of the manual.
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