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
Received on Wed Jan 19 2000 - 17:28:31 PST
