AMBER Archive (2001)

Subject: Info about LEaP

From: Paolo Daniele (daniepao_at_yahoo.it)
Date: Mon Sep 24 2001 - 10:21:39 CDT

Hi!
Using the LEaP program,I got a problem:there are
some binds among the helices of my protein,but they
should not be! So, to remove these undesired bonds, I
used
the option removeBond in LEaP.
Referring to my protein ABC, after the "check"
command, it showed that there's, for instance, a bond
between
.R<GLU 36>.A<C 14> and .R<LEU 37>.A<N 1>

I hadn't problems giving the desc command about the
atoms
involved in the bonds,but when I digit the command:
removeBond ABC.36.14 ABC.37.1
it results in a syntax error.
Can you help me, please?
I'm sure of a your fast and exhaustive answer.
Yours sincerely,
                                   Paolo
                                   

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