Dear Amber users,
I'm trying to perform a decomposition
per-residue of my system (protein+DNA) using the following input file:
Input file for running PB and GB
&general
endframe=10,
verbose=1,
/
&gb
igb=2, saltcon=0.100
/
&decomp
idecomp=1,
print_res="86"
dec_verbose=1,
/
I took it from Amber tutorial for
this instance:
http://ambermd.org/tutorials/advanced/tutorial3/py_script/section6.htm
But I get this error:
Running calculations on normal
system...
_Beginning GB calculations with /opt/amber12/bin/sander_
_
calculating complex contribution..._
_ calculating receptor
contribution..._
_ calculating ligand contribution..._
_DECOMPERROR:
MISMATCH IN NUMBER OF DECOMP TERMS!_
_Exiting. All files have been
retained._
I'm sure that the number is right and that exists. Can
anyone help me?
Thanks.
Fer.
--
==============================================
Fernando Martín
García
Molecular Modeling Group - Lab 312.1
Molecular Biology
Center "Severo Ochoa"
C/ Nicolás Cabrera, 1.
UAM University.
Cantoblanco, 28049 Madrid. Spain.
TEL: (+34) 91-196-4662 FAX: (+34)
91-196-4420
Web:
http://fertoledo.wordpress.com/
==============================================
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Received on Wed Jul 17 2013 - 03:00:02 PDT
