Dear Amber users,
I have input file for md simulation.
molecular dynamics run
&cntrl
imin=0,irest=0, ntx=1, tempi=0.,
scee=1.2, cut=9.0,
ntt=1, temp0=50.0, tautp=0.2,
ntp=1, taup=0.2, npscal=1,
ntb=2, ntc=2, ntf=2, nsnb=25,
nstlim=500, iwrap=1,
ntwe=100, ntwx=100, ntpr=25,
ntr=1,
&end
Restrained solute
50.0
FIND
* * * *
SEARCH
RES 1 436
END
END
eof
Unfortunatly, It doesn't work. I have in log file next:
fmt: read unexpected character
apparent state: internal I/O
last format: (i5)
lately reading sequential formatted internal IO
What can you reccomend me?
Volodya
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Received on Wed Sep 15 2004 - 17:53:00 PDT
