[gmx-users] editconf

[Anton Feenstra]

Raj Badhan wrote:

> Hope someone could offer some advice.
> When converting GRO to PDB via editconf -f x.gro -o x.pdb
> we notice that if, for example, we have a ligand present, editconf 
> seems to corrupt the bonds on the ligands and analysis of the PDB 
> file shows that editconf changes the x coords. to a huge values 
> compared to the original gro files.

No, if you do not supply any other options to editconf, it will not
alter the coordinates of your atoms (except for the nm to angstrom
conversion, that is).


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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