Please note that as indicated in the READ BEFORE POSTING topic, duplicate posts are not permitted, so the other one was removed.

The description at the beginning of the complex PDB input examples post is fairly clear about the need to put separate segments in separate files to use those examples as a template for your own work.

See io.doc for a more complete description of the READ UNIV facility. It can be used to read a multiple segment PDB, as outlined in the second example of the UNIVersal coord reader examples post.


Rick Venable
computational chemist