[gmx-users] triclinic box too skewed
B. Nick
ANick at t-online.de
Tue Mar 25 21:06:01 CET 2003
Dear all,
I want to run a simulation on a polyamide
crystal structure to test some force field
parameter changes. The crystal unit cell
angles are alpha=48.5, beta=77, and gamma=63.5.
If I try to start any simulation with this
triclinic system I always get the error:
Triclinic box is too skewed.
Does anybody know a way to solve this problem?
Thanks for any help,
Gitta
More information about the gromacs.org_gmx-users
mailing list