Hi there I am getting the following the message when trying to run a short equilibration for minimisation and molecular dynamics.
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Cannot match namelist object name scee
namelist read: misplaced = sign
Cannot match namelist object name 1.2
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The code in the md file that sander is trying to read is:
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# production dynamics 10ps
&cntrl
imin = 0,
ntx = 1, irest = 0,
scee = 1.2,
ntt = 1, temp0 = 288.0, tautp = 2.0,
ntwr = 1000, ntwx = 1000,
ntc = 2, tol = 0.00001,
cut = 10.0,
ntpr = 100,
ntr = 1,
ntb = 2, ntp = 1,
nstlim = 10000,
&end
Restrain DNA residues
500.0
RES 1 16
END
END
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This is using amber 11, I did not have this error with amber 10.
Any suggestions?
Kind regards,
Andre
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Received on Thu Nov 25 2010 - 19:00:03 PST
