[gmx-users] editconf/genbox problem in Gromacs 4.0

Caterina Arcangeli caterina.arcangeli at casaccia.enea.it
Fri Nov 7 12:13:55 CET 2008

Many thanks to Bert and Xavier.

>> Dear gmx-users,
>> I have encountered a similar editconf/genbox problem posted by Matt
>> Danielson on 14 October:
>> I 'm using Gromacs 4.0 (installed on MacOS).
>> 1. editconf -f my_protein.pdb -bt dodecahedron -d 0.9 -c -o
>> may_protein_box.pdb
> use gro files for output and it works. The box size is not written
> in the pdb file, although it used to be.

Yes, it works, but I'm using .pdb instead of .gro format to support
chain identifiers since my system is composed by 3 protein chains.
So I will wait for the new 4.0.1 release.


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