On Thu, May 09, 2024, Pye, Aaron Wesley via AMBER wrote:
>
>I am trying to run an RNA simulation with an added distance restraint
>between two nucleobases using nmropt=1. With nmropt=1 added I get a fortran
>end of file runtime error. Without the nmropt and DISANG lines everything
>runs fine. What might be causing these errors? Attached are my input file,
>DISANG file, and a screenshot of the error message.
>
Each &rst namelist in your DISANG file has to end with its own "/"
character:
&rst iat=2304,20 r1=2.0, r2=3.0, r3=3.0, r4=4.0, rk2=25., rk3=25., /
&rst iat=2302,17 r1=2.0, r2=3.0, r3=3.0, r4=4.0, rk2=25., rk3=25., /
&rst iat=2299,16 r1=2.0, r2=3.0, r3=3.0, r4=4.0, rk2=25., rk3=25., /
See if that helps. Adding in LISTIN=POUT in you mdin file can often aid in
debugging (although it might not help much with this error.)
...hope this helps...dac
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Received on Thu May 09 2024 - 09:00:03 PDT
