Hi everyone,
I am trying to build a mesomolecule using the 'build mesomolecule' option in the 'build mesostructure' under the 'build' tab and need to connect multiple beads. I need to connect the grey beads (WB) to the topmost golden beads (WA) as shown. I group the a WA beads with the respective WB beads in a set 'S'. Then I run a perl script -
#!perl
use strict;
use Getopt::Long;
use MaterialsScript qw(:all);
my \$doc=\$Documents{"molecule.xsd"};
my \$beads=\$doc->UnitCell->Sets("S")->Beads;
my \$bead1 =\$doc->UnitCell->Beads("WA");
my \$bead2 =\$doc->UnitCell->Beads("WB");
\$doc->CreateBeadConnector(\$bead1,\$bead2);
I ended up connecting only one pair of WA and WB bead. An alternative to this was to name the WA beads as WA1 and WA2, WB beads as WB1 and WB2 and run a similar script. But it is getting tedious when I need to connect multiple such pairs of beads as I need to give inputs of the interaction parameters and bonded interactions for more number of beads while defining the forcefield. Can anyone suggest a simpler way to connect these beads?
Thanks,
Ricky