AMBER Archive (2001)

Subject: trajectory analysis

From: Sue Heavner (sheavner_at_hsc.wvu.edu)
Date: Sat Oct 13 2001 - 14:26:41 CDT

Dear Reflector:
I wish to find all protons that come within a certain distancd (say 3 angstroms) from a specified atom (another proton) during a md run. I tried to use cutres in carnal but it seems that option will only give me residues as in monomers and not specific atoms even though ii tried specifying a second group of atom type H*. Is there some way to obtain this information? Thank-you, Sue