Hi Jason:
Mi name is Alex Rendon, i solve the past problem using tleap now i have the
coordinate files and topology files of my protein and DNA models, following
tutorial 2 named Using dynamics simulations to estimate binding energetics,
specify section 2 when i try to run sander.MPI in Mac OS 10.8.3 Lion, the
simulation stops due to *Fortran error*
while the program is reading the *min.in* file how i solve the problem is
due to a bad compilation of the sofware installed in my machine?
other programs run well
*min.in *
Initial minimisation of our complex
&cntrl
imin=1, maxcyc=500, ncyc=200,
cut=16, ntb=0, igb=1,
/
this program min.in is saved in the carpet file named complex 1 where im
running the minimization
N-terminal-2:complex1 javieralejandrorendoncarrillo$
$AMBERHOME/bin/sander.MPI -O -i min.in -o min_complex.out -p complex.prmtop
-c complex.inpcrd -r complex_min.crd &
[2] 1660
N-terminal-2:complex1 javieralejandrorendoncarrillo$ *At line 524 of file
mdread.F90 (unit = 5, file = 'min.in')*
*Fortran runtime error: End of file*
[2]- Exit 2 $AMBERHOME/bin/sander.MPI -O -i min.in -o
min_complex.out -p complex.prmtop -c complex.inpcrd -r complex_min.crd
N-terminal-2:complex1 javieralejandrorendoncarrillo$
--
LBG Javier Alejandro Rendón Carrillo
Laboratorio de Investigación y Desarrollo
Tel. (044) 81-80-52-05-76
El control del espacio y el estricto manejo
del tiempo son factores determinantes
para aquellas personas que pretendan
alcanzar y sostener un desempeño
eficiente.
CONTROL DEL ESPACIO: Orden en las
cosas, en los archivos y en los registros.
ESTRICTO MANEJO DEL TIEMPO: Ser
puntual y saber fijar prioridades y
cantidades de tiempo
M. Kant
Año-1780
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Received on Tue Apr 16 2013 - 22:30:02 PDT
