I am not sure, but start by moving your &end line one space to the left
to be aligned with your &cntrl line.
Adrian
On 7/9/21 9:48 AM, Sadaf Rani wrote:
> [External Email]
>
> 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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> https://urldefense.proofpoint.com/v2/url?u=http-3A__lists.ambermd.org_mailman_listinfo_amber&d=DwICAg&c=sJ6xIWYx-zLMB3EPkvcnVg&r=dl7Zd5Rzbdvo14I2ndQf4w&m=MdHIJDZ7loGO1H5lUxdqfQngmFpx5mz7iELFmxiBNRA&s=WlRn6LIWucDmunhLQYksko35fTJTfGUQOxonCpoqbkY&e=
--
Dr. Adrian E. Roitberg
V.T. and Louise Jackson Professor in Chemistry
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jul 09 2021 - 07:00:03 PDT
