Dear amber users£º
With Amber12 sander I am running Md£¬this error is that Could not find cntrl namelist.and it did not run ,my input file is :
&cntrl
imin = 0, irest = 1, ntx = 7,
ntb = 2, pres0 = 1.0, ntp = 1,
taup = 2.0,
cut = 12, ntr = 1,
ntc = 2, ntf = 2,
tempi = 300.0, temp0 = 300.0,
ntt = 3, gamma_ln = 1.0,
nstlim = 500000, dt = 0.001,
ntpr = 100, ntwx = 100, ntwr = 5000
/
group one
20.0
RES 1 192
END
END
~my outfile is
File Assignments:
| MDIN: equ.in
| MDOUT: equ.out
|INPCRD: heat.rst
| PARM: comp_slv.prmtop
|RESTRT: equ.rst
| REFC: refc
| MDVEL: mdvel
| MDEN: mden
| MDCRD: equ.mdcrd
|MDINFO: mdinfo
| MTMD: mtmd
|INPDIP: inpdip
|RSTDIP: rstdip
|INPTRA: inptraj
|
Here is the input file:
&cntrl
imin = 0, irest = 1, ntx = 7,
ntb = 2, pres0 = 1.0, ntp = 1,
taup = 2.0,
cut = 12, ntr = 1,
ntc = 2, ntf = 2,
tempi = 300.0, temp0 = 300.0,
ntt = 3, gamma_ln = 1.0,
nstlim = 500000, dt = 0.001,
ntpr = 100, ntwx = 100, ntwr = 5000
/
group one
20.0
RES 1 192
END
END
Could not find cntrl namelist
Can anyone help me?Thanks for your help in advance.
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Received on Tue Jul 15 2014 - 06:30:02 PDT
