[AMBER] debug issue

From: Zhenyu Meng <fdmm1989.gmail.com>
Date: Wed, 27 Apr 2016 14:53:13 +0800

Dear Amber users,
I'm trying to use Amber sander debugging mode, and my input script is as
followed.
When I run the simulation, no forcedump.dat file is generated.
Anyone knows what's going on?
Your kind help will be highly appreciated!

Force test
&cntrl
dielc=1.0,
nstlim=1,
dt=0.002,
maxcyc=5
imin=0,
ntmin=2,
ntpr=1,
ntc=2,
cut=10.0,
ntf=2
/
&debugf
do_debugf=1,
atomn=1,2,3,4,5,6,
dumpfrc=1,
rmsfrc=0,
zerovdw=1,
do_dir=1,
do_adj=0,
do_rec=0,
do_self=0,
do_bond=0,
do_angle=0,
do_ephi=0,
zerochg=0,
/
&ewald
ew_type=1,
ew_coeff=0.31234,
mlimit(1)=5,
mlimit(2)=5,
mlimit(3)=5,
/


-- 
Sincerely,
Mr. Meng Zhenyu
Division of Chemistry and Biological Chemistry
School of Physical and Mathematical Sciences
Nanyang Technological University
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Received on Wed Apr 27 2016 - 00:00:03 PDT
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