Hi :
I try to run a minimization of a protein in water.
This is my .in:
&cntrl
imin = 1,
maxcyc = 1000,
ncyc = 500,
ntb = 1,
ntr = 1,
cut = 10
/
Hold the Protein fixed
500.0
RES 1 35
END
END
When I try to run sander the job stops abruptly. This is the output:
sander -O -i min1.in -o SP_min.out -p SP.top -c SP.crd -r SP_minRST.rst -ref
SP.crd -x SP_minMV.mdcrd -e SP_minEN.mden -inf SP_minIn.info
forrtl: severe (64): input conversion error, unit -5, file Internal Formatted
Read
Image PC Routine Line Source
sander 0819A064 Unknown Unknown Unknown
sander 08199B5C Unknown Unknown Unknown
sander 0816A1B9 Unknown Unknown Unknown
sander 08133DD4 Unknown Unknown Unknown
sander 08134277 Unknown Unknown Unknown
sander 08142641 Unknown Unknown Unknown
sander 08141E4E Unknown Unknown Unknown
sander 080DCE2B Unknown Unknown Unknown
sander 080DCB60 Unknown Unknown Unknown
sander 080ADC6C Unknown Unknown Unknown
sander 08078193 Unknown Unknown Unknown
sander 08077E76 Unknown Unknown Unknown
sander 0804A93D Unknown Unknown Unknown
libc.so.6 40404E80 Unknown Unknown Unknown
sander 0804A7D1 Unknown Unknown Unknown
Anthony
What is the problem????
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Received on Wed Jul 06 2005 - 22:53:00 PDT
