AMBER Archive (2003)

Subject: keeping pdb residues numbers ?

From: GUILBAUD Philippe 153683 (GUILBAUD_at_atil.cea.fr)
Date: Wed Jun 04 2003 - 07:48:50 CDT

Dear amber users,

I'm doing energy calculation on some parts of a protein using leap, sander
and anal.
The input file is a pdb file with selected residues of the protein.
I would like to have pdb files corresponding to the output of the jobs (can
be a small minimization), keeping the residues number which are in the
original (input file) pdb.

Unfortunately, when I save a pdb file in leap, or when I generate this pdb
using anal and the .top and .cor files, it reassign the residues number
(starting from 1 to "total number of residues"). Residues numbers are only
kept in the UNIT (saveoff) leap file.

Does anybody know a way to save (or generate) pdb files keeping the original
residues numbers?

Thanks in advance,

Philippe