2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
4 <String Name="CommandLine">insert-molecules -box 4 -nmol 2 -seed 1997</String>
5 <OutputFiles Name="Files">
7 <String Name="Contents"><![CDATA[
8 Test system for solvate/insert-molecules
10 1MeOH Me1 1 1.970 1.460 1.209
11 1MeOH O2 2 1.978 1.415 1.082
12 1MeOH H3 3 1.905 1.460 1.030
13 2SOL OW 4 1.555 1.511 0.703
14 2SOL HW1 5 1.498 1.495 0.784
15 2SOL HW2 6 1.496 1.521 0.623
16 3X X1 7 3.341 1.374 1.964
17 3X X2 8 3.282 1.495 1.972
18 4X X1 9 2.371 3.904 1.381
19 4X X2 10 2.422 4.024 1.346
20 4.00000 4.00000 4.00000