AMBER Archive (2002)

Subject: Re: creating a unit wth xleap

From: Bill Ross (photoriot_at_yahoo.com)
Date: Tue Mar 19 2002 - 13:43:25 CST

> loadamberprep apn.lib
> loadamberprep gpn.lib

> I have two units, APN and GPN. How can I make this
> a single unit?

After loadamberprep do either:

1. Make a pdb containing both residues
2. > x = loadpdb that.pdb

Or, if you want to take a chance on the coordinates:

1. > x = sequence { APN GPN }

Then in either case: to reference the residues, use
x.1 and x.2 for first and 2nd residues. Note that
'x' contains a _specific copy_ of APN, not the
_template_ APN that you loaded with loadamberprep,
thus APN in x is addressed via the molecule it is
contained in.

Atom H1 in the 1st residue would be x.1.H1 by the way.
                                  
Bill Ross

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