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Anonymous

Some questions about the "link" command in Polymatic code

To whom it may concern:

Hello. Recently I am using the Polymatic code to conduct a research about -NH2 group. I have three questions:

1. A -NH2 group may connect to 1 or 2 other groups. I am trying to use the command "link type1, type1_new type2,type2_new" to conduct the cross-linking process. How to define the type2_new of -NH2 to obtain two bonds? I changed the type2 of -NH2, the type2_new prevented the -NH from participating in further reactions. Hence, only one bond can be created at -NH2 group.

2. After a bond is created, how to handle the H atom? The previous N-H bond should be deleted.

3. In example 5 of the Polymatic code, the parameters of a whole group, like OA0, LOA0, are listed directly. How to determine the parameters of -NH2 during the cross-linking process? Thank you very much.

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