[Wien] help
djamel slamnia
djamel4009 at yahoo.fr
Wed May 6 21:52:44 CEST 2020
dear wien2k user's for minimisation positions: i need case.inM for position below ???
ATOM 1 position1 :X=0.88670000 Y=0.66666667 Z=0.75000000
position2:X= 0.33333333 Y=0.22003333 Z=0.41666667
position3 X= 0.77996667 Y=0.11330000 Z=0.08333333
ATOM2 position1 X=0.25390000 Y=0.25540000 Z=0.66020000
Position2 X= 0.74460000 Y=0.99850000 Z=0.32686667
Position3 X= 0.00150000 Y=0.74610000 Z=0.99353333
ATOM3 position1 X=0.66666667 Y=0.07740000 Z=0.83860000
Position2 X= 0.92260000 Y=0.58926667 Z=0.50526667
Position3 X= 0.41073333 Y=0.33333333 Z=0.17193333
ATOM4 position1 X=0.33333333 Y=0.38240000 Z=0.91640000
Position2 X= 0.61760000 Y=0.95093333 Z=0.58306667
Position3 X= 0.04906667 Y=0.66666667 Z=0.24973333
ATOM5 position1 X=0.37650000 Y=0.17900000 Z=0.80190000
Position2 X= 0.82100000 Y=0.19750000 Z=0.46856667
Position3 X= 0.80250000 Y=0.62350000 Z=0.13523333
ATOM6 position1 X=0.85110000 Y=0.15410000 Z=0.69700000
Position2 X= 0.84590000 Y=0.69700000 Z=0.36366667
Position3 X= 0.30300000 Y=0.14890000 Z=0.03033333
ATOM7 position1 X=0.00060000 Y=0.43250000 Z=0.91230000
Position2 x= 0.56750000 Y=0.56810000 Z=0.57896667
Position3 X= 0.43190000 Y=0.99940000 Z=0.24563333
ATOM8 position1 X=0.66800000 Y=0.76580000 Z=0.91990000
Position2 X= 0.23420000 Y=0.90220000 Z=0.58656667
Position3 X= 0.09780000 Y=0.33200000 Z=0.25323333
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