AMBER Archive (2002)

Subject: Re: ion distances

From: Bill Ross (photoriot_at_yahoo.com)
Date: Mon Nov 25 2002 - 18:51:46 CST

> how can I get the distances from the ions to the
DNA,
> with either carnal or ptraj, is there a way other
> than typing explicitly all the atoms?

This can be done with DISTRIBUTION DIST in carnal,
define a GROUP for the dna and one for the ions.
See in manual the Example

# DISTRIBUTION EXAMPLE: TWO GROUPS using closest atom
in 1st to each of 2nd

Bill Ross