Genevieve,
Create a 3, 4 or 5 mer of the PVT and submit to ATB ( the wonderful topology
makers ) to obtain the itp. ( 4A7 ff ) That wil give you the beginning middle
and end mers for buiding a plymers as Justin has shown for PE.
A second route is to build PVT under 500 atoms and submit that
UNRESTRICTED / ILLIMITÉE
Hello!
As part of my research, I need the structure of polyvinyltoluene to perform
molecular dynamics simulations.
I searched for it in Crystallography Open Database (COD) and in Cambridge
Crystallographic Data Centre (CCDC), but found nothing.
I'm wondering if someone
