Dear AMBER users, I am using a flat-well restraint in the minimization.
These are the parameters I used,
# DNA: initial minimization solvent + ions
&cntrl
imin = 1,
maxcyc = 2500,
ncyc = 1000,
ntb = 1,
ntp = 0,
ntr = 1,
cut = 10.0,
ntpr = 500,
ntwx = 500,
nmropt = 1,
/
Hold the DNA fixed
500.0
RES 1 32
END
END
&rstlist
INFILE = 'restraint.in'
&end
and I am encountering this error- # DNA: initial minimization solvent +
ions rfree: Error decoding variable 1 3 from:
&cntrl
this indicates that your input contains incorrect information field 1 was
supposed to have a (1=character, 2=integer, 3=decimal) value
Any help in setting this up would be very appreciated
Warm regards,
Manvendra
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Received on Tue Jun 24 2025 - 10:00:01 PDT
