[gmx-users] About to introduce more than one protein in a box....

Absalom Zamorano absalomz2002 at yahoo.com.mx
Fri Mar 24 21:06:47 CET 2006

Hi users gromacs, I want to simulate a interacction
between three peptides  in a one box. So, once I have
the three gro files,  I construct with genbox a box
from the largest peptide (this is OK), but when I want
to introduce the second peptide ( genbox -cp
p1_largest_in_box.gro -ci peptide2.gro -nmol 1 -try
100 -o peptide_1_2_in_box.gro)
... the output is like:
Program genbox, VERSION 3.3
Source code file: gmx_genbox.c, line: 307
Fatal error:
more then one residue in insert molecules
program terminated
What could I do to obtain this system with three
different peptides in box? This is because  I want to
assambly them.
I will really, really appreciate very much your commentaries..

Dr. Absalom Zamorano Carrillo 
Profesor Titular A 
Programa Institucional de Biomedicina Molecular, ENMyH-IPN
Guillermo Massieu  Helguera  #239 Fracc. "La Escalera"
Ticomán, D.F. México, C.P  07320
Tel. (55) 57296000,  ext 55542

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