Dear Amber users
I am getting an error of "Fortran runtime error: Bad value during integer
read" while running minimization. I am giving following command:-
sander -O -i min1.in -o min1.out -p complex_wild.prmtop -c
complex_wild.inpcrd -r min1.rst -ref complex_wild.prmtop
Min1.in is as follows:-
Minimization with Cartesian restraints for the solute
&cntrl
imin=1, maxcyc=100000,
ntmin=1, ncyc= 10000,
ntpr=5,
ntr=1,
&end
Group input for restrained atoms
25.0
RES 1 492
END
END
What is wrong in input that I am getting this error?
Any suggestions would be appreciated, please.
Regards
Sadaf
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Received on Fri Jul 09 2021 - 07:00:02 PDT
