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updated mol22lt.py documentation
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jewettaij committed Aug 16, 2022
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7 changes: 6 additions & 1 deletion doc/doc_mol22lt.md
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Expand Up @@ -33,7 +33,8 @@ A polyphenylene sulfide (PPS) polymer:

Later on, you would use this "PPS_5mer.lt" file we just created
by referring to it in another file (usually "system.lt").
Here is a usage example:
Here is an example "system.lt" file which uses the "PPS_5mer.lt"
file we just created:
```
import "PPS_5mer.lt"
pps5_copy = new PPS5 # (instantiate a single copy of the "PPS5" polymer)
Expand All @@ -44,6 +45,10 @@ import "PPS_5mer.lt"
pps5_copy1 = new PPS5.move(-24.7, -3.9, -4.3)
pps5_copy2 = new PPS5.move(-21.3, 1.9, 0.7)
```
To prepare a LAMMPS simulation, we would enter this command into the terminal:
```
moltemplate.sh system.lt
```

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