[gmx-users] bad box in protein.gro
Alessandro Casoni
alessandro.casoni at unimi.it
Mon Nov 10 11:20:57 CET 2008
Hi all,
when i use "editconf" to generate a dodecahedron box with the command:
editconf -f protein.gro -bt dodecahedron -o box.gro -d 0.9
the output show me the following message:
.....
WARNING 1 [file aminoacids.dat, line 1]:
Bad box in file protein.gro
Generated a cubic box 6.941 x 4.939 x 7.460
.....
what is the mean of "bad box in file"?
and why editconf generates a cubic box?
I use gromacs 4.0
regards,
Alessandro
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