Hi Alex,
I need to mention that the sgroup.in file has the following inside:
P
4.3000000000 4.2999798768 6.4500000000 90.0000000000 90.0000000000 120.0001548077
2
0.666670000 0.333330000 0.750000000
Be.xml
0.333330000 0.666670000 0.250000000
Be.xml
But sgroup.out file is just empty (i…e “sgroup.out” 0L, 0C)
And sgroup.err file has “Error: the main conditions not satisfied”
Any idea?
Thuto