Commit 51a7967c authored by cmaffeo2's avatar cmaffeo2
Browse files

Made atomic simulation box smaller, because it's usually too big, causing namd...

Made atomic simulation box smaller, because it's usually too big, causing namd to crash; TODO: calculate size from object
parent 17ffa1ca
......@@ -1409,8 +1409,8 @@ tclForcesScript $prefix.forces.tcl
#############################################################
# Continuing a job from the restart files
cellBasisVector1 1000 0 0
cellBasisVector2 0 1000 0
cellBasisVector1 200 0 0
cellBasisVector2 0 200 0
cellBasisVector3 0 0 1000
if {$nLast == 0} {
......
Supports Markdown
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment