Hi Pavel,

I'm digging in docs and list serv but could not find out, and figured you probably know faster.

I need to make an occ.params file for some groups of  non adjacent side chains which interact with each other, and associated waters.

1) How do I select ACs

2) How do I constrain water occupancies so that their Q + that of coupled protein atomes does not  exceed 1.  If I match the AC flags for the waters and side chains will this take care of it.

e.g. if residues 2 and 21 have coupled ACs and waters 101 and 102 move in when residue 21 is in one of its ACs how would I define below?

Thanks !!!

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