Hi all amber users,
I am very new in amber. MD production stop at prod47.out. It is not written any thing.
This is the content of prof47.out :
-------------------------------------------------------
Amber 11 SANDER 2010
-------------------------------------------------------
| Run on 08/01/2011 at 09:06:06
[-O]verwriting output
File Assignments:
| MDIN:
prod.in
| MDOUT: prod47.out
|INPCRD:
prod46.rst
| PARM: topol/complex.prmtop
|RESTRT:
prod47.rst
| REFC: refc
| MDVEL:
mdvel
| MDEN: mden
| MDCRD:
prod47.mdcrd
|MDINFO: mdinfo
| MTMD:
mtmd
|INPDIP: inpdip
|RSTDIP:
rstdip
|INPTRA: inptraj
|
Here is the input file:
prod
ras-raf
&cntrl
imin=0,irest=1,ntx=5,
nstlim=250000,dt=0.002,
ntc=2,ntf=2,
cut=12.0, ntb=2, ntp=1, taup=2.0,
ntpr=5000,
ntwx=5000,
ntt=3, gamma_ln=2.0,
ig=-1,
temp0=300.0,
/
--------------------------------------------------------------------------------
1. RESOURCE USE:
--------------------------------------------------------------------------------
| Flags:
MPI
getting new box info from bottom of inpcrd
| INFO: Old style inpcrd file read
It do not have any initial value. And there are not have prmtop and rst file for prod47. Job on cluster still run. But it is not writen anything in prod47.out .Can any one explain that ? I need to run more from prod47 to prod80.
I am really appreciate. Thanks a lot
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Received on Wed Aug 03 2011 - 02:00:02 PDT
