[gmx-users] triclinic box

T. Zaraiskaya tz at disco.physics.uoguelph.ca
Fri Mar 22 03:18:19 CET 2002

1)i am using editconf to generate .gro from .pdb for crystal simulation;
the crystal is triclinic.
% editconf -f <in.pdb> -o <out.gro> -bf tric -box a b c -angles bc ac ab

the last line of out.gro looks like:
   1.12020 0.92620 6.259008 0.00000 0.00000 0.00000 0.00000 -0.99134 0.00000

what are these 9 values in this case? (angles, unit cell vectors..) why nine?

2)can genbox generate a triclinic box of solvent?


Tanya Zaraiskaya
Physics Department
University of Guelph
Guelph, ON, N1G 2W1
email:tz at helios.physics.uoguelph.ca
phone:(519)824-4120 x8346.

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