AMBER Archive (2000)

Subject: amber problem

From: Alexandre Gillet (gillet_at_glycine.jouy.inra.fr)
Date: Wed Jan 19 2000 - 19:28:31 CST

I have a problem when I am using Xleap to create my topolgy file and
.crd file.
When I do a simple minimization ,with sander, of the file obtain with
Xleap , the Hbond energy is always 0.000 .
I do not encounter this problem when I built my amber file using PREP
,EDIT, LINK, PARM.
I would like to know if someone already face this problem and what is
the solution to resolve it ?
I am running the program on SGI irix 4.2.
I use AMBER 5.

thank a lot in advance for your answers. 

--
==========================================================================
Alexandre Gillet

graduate student
Mathematique Informatique et Genome,
Batiment des Biotechnologies,           Email: gillet_at_glycine.jouy.inra.fr
INRA, Jouy-en-Josas, 78352, France