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
Received on Wed Jun 04 2003 - 14:53:02 PDT
