Dear Ross,
I am trying to run sander machine with the following input script that you
give us in : http://ambermd.org/tutorials/basic/tutorial1/
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...
I am very apologize for this mail.....
I didn't have idea to solve it.
Best regards
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed May 20 2009 - 13:54:09 PDT
