AMBER Archive (2005)

Subject: AMBER: Create new Unit

From: Douali, Latifa (latifa.douali_at_pnl.gov)
Date: Thu Jun 30 2005 - 18:45:37 CDT

Dear amber users

I would like to create a new unit (non-standard unit) containing a
modified nucleic acid with leap.
I am trying to proceed as in the tutorial4.
I load my pdb file into the new unit
> xxxx = loadpdb xxxx.pdb
So I would like to determine the head and the tail atoms for my new
unit. But it seems that leap does not recognize my unit.
When I chek by the command desc xxxx it gives me that
UNIT name: xxxx
Head atom: null
Tail atom: null

But when I do
Desc xxxx.1.1 it gives me that
STRING (with no reference): 'xxxx.1.1'

Any hints will be appreciated.

Latifa

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