I am learning some of the primary features of pipeline pilot. I was intended to create a cross linked polymer network from DGEBA and TETA. The xsd files for these systems have been provided in Materials Studio package as example files, and I used them as are. However, I have named the reactive sites in these two species as R1 and R2 for the purpose of cross-linking, respectively. I have also tested some other systems, such as DGEBA and EDA, which worked fine for a given number of ratios between the resin and hardener, but failed for several other ratios between them. For the former pair (DGEBA and TETA), I always got two types of errors that are given below:
1 - Convergence criteria has not been met!
2 - No successful configurations after ring spearing check in AmorphousCell.Construction (function/property "Run")
The type of failures I encountered is copied below. While this is shown for DGEBA and 4,4-diaminodiphenyl sulfone, as well as for DGEBA and TETA, it is true for all other pairs I have stated above. It is worth noting that these paired systems work well with the cross-linking script Jason placed in materials studio community site last year, yet interestingly these did not produce any result with the cross linking polymer network protocol of pipeline pilot. Any help on how to resolve this would be greatly appreciated. Thanks