Angles update


I have a coarse-grained system in which some chemical reactions take place, forming new bonds, and for each bond i have to update the involved beads types, charges and angles.
I have written a data file containing all the new types, the problem is that, while for beads type update i have used the dedicated bondtype entry in fix bond/create command and for charges update i've used the set command at the end of the procedure, for angle update i'm not finding a way, i did it on my own by means of a script, but i would prefer to do it directly if possible.

Fix bond/create command is used in a loop,but with this command i'm not able to establish new angles types starting from new formed bonds, because it depends on the third bead of the angle, which can be of more than one type and so do new angles.
Set command is an alternative but the angle keyword wants atoms IDs and i have to identify them every time.

Is it possible to do it at the end of the reactions procedure, as i did successfully for charges, stating something like "Each angle between bead X-Y-Z is of type K, with Y central bead of the angle"??
Thank you and Best Regards,


this sounds a lot like using fix bond/react would be a better option for you. please check out its documentation.