Dear Amber users,
I have the next error in my output file:
5. REFERENCE ATOM COORDINATES
----- READING GROUP 1; TITLE:
DISANG= rsta1.dat
rfree: Error decoding variable 1 3 from:
LISTOUT=
I have checked format of my input but i didn't find an apparent error:
cat << EOF > ${JOB}_MD${j}.in
equil_md
&cntrl
nmropt = 1, ntx = 5, irest = 1, ntrx = 1,
ntxo = 1, ntr = 1,
ntpr = 1000, ntwx =1000,
ntf = 2, ntb = 2, dielc = 1.0, ntc=2,
cut = 12, nsnb = 10, scnb = 2.0, scee = 1.2,
imin = 0,
nstlim = 100000, dt = 0.002,
temp0 = 300, tempi = 300,
ntt = 1, vlimit = 20.0,
ntp = 1, iwrap = 1,
&end
&wt type='END' &end
DISANG= rsta1.dat
LISTOUT= rsta${j}.lis
CONST1
20.0
FIND
CA * * *
SEARCH
RES 108 110
END
CONST2
20.0
FIND
CA * * *
SEARCH
RES 291 293
END
CONST3
20.0
FIND
CA * * *
SEARCH
RES 474 476
END
END
EOF
Can anybody help me?
Thanks
--
Fernando Martín García.
Centro de Biología Molecular "Severo Ochoa".
C/ Nicolás Cabrera, 1.
Campus UAM. Cantoblanco, 28049 Madrid. Spain.
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Received on Mon Mar 08 2010 - 04:00:02 PST
