Dear Amber10 users,
Greeting.
I am trying to run sander machine with the following input script
polyA-polyT 10-mer: initial minimization solvent + ions
&cntrl
imin = 1,
maxcyc = 1000,
ncyc = 500,
ntb = 1,
ntr = 1,
cut = 10.0
/
Hold the DNA fixed
500.0
RES 1 20
END
END
sander -O -i polyAT_wat_min1.in -o polyAT_wat_min1.out -p
polyAT_wat.prmtop -c polyAT_wat.inpcrd -r polyAT_wat_min1.rst -ref
polyAT_wat.inpcrd
I receive the following error:
At line 2206 of file _ew_setup.f
Fortran runtime error: Bad value during integer read
After open _ew_septup.f, I realise that this line 2206 didn't exist....(
The file is located in src/sander)...
I will be very grateful to receive all idea to go through this problem...
Best regards
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Received on Wed May 20 2009 - 11:23:00 PDT
