[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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