r.k.badhan at stud.man.ac.uk
Mon Dec 15 20:21:01 CET 2003
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.
Any ideas why this is occuring? This clearly is not a viewer issue,
so is there something we are doing wrong when converting?
Many thanks for any advice you could offer.
School of Pharmacy and Pharmacetical Science
The University of Manchester
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