Dear Amberites,
I am trying to run a OWFEG calculation and after starting the run it dies
giving an error of:
No such file or directory
apparent state: unit 66 named
last format:
Unit 66 is a sequential formatted external file
*** Execution Terminated (2) ***
I think that it has something to do with not assigning the output files but
I'm not sure how to do that. (ie. Is is done in the .in file or on the command
line as a flag input)
In the .out file (see below) there is a space for LGFIL and the other
outputfiles followed by some binary looking stuff.
Any help would be much appreciated.
Craig Marhefka
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LIGAND GRID requested. Control parameters (&ligrid):
RADLG =3D 2.00000 EPSLG =3D 0.15000 RLGDIS=3D 3.00000
RLGEXC=3D 1.40000 RLGSPC=3D 0.50000 CHGPRB=3D 0.30000
RTOCLS=3D 0.50000 BIGCLS=3D1000.00000 RLGREP=3D 0.00000
XLGMM1=3D 0.00000 XLGMM2=3D 0.00000 XLGMM3=3D 0.000
XLGMM4=3D 0.00000 XLGMM5=3D 0.00000 XLGMM6=3D 0.000
RLGDI2=3D 0.00000 RLGEX2=3D 0.00000
LGLIG1=3D 1 LGLIG2=3D 31 LGLIG3=3D 1
LGLIG4=3D 31 LGSKP =3D 0 LGREST=3D 0
LGWRIT=3D 100 LGCOR =3D 0 LGHIGN=3D 1
LGIGR1=3D 0 LGIGR2=3D 0 LGATRF=3D 0
LGEXCL=3D 0
LGFIL :
=FD=D0=A0
=F9=03=05 =FF=0E9
=FD=D0=A0
=F9Y=A0=15w(`
=FB=AC
LGRSFO: =15w(`=05
=FD=D0=A0
=F9Y=A0
=FBs=A0=12=C0=07=15x=E9
LGRSFI: =10=0B=F0?=010=05=15w(`=10=0B=F0Y
LGREFC: =10
.x=15w(`
=FD=D0=A0
=FB=D4=A4
=F9Y=A0=15v=C5
LGSETR:
=FD=D0=A0
=F9Y=A0
=F9W=EC
=FD=D0=A0=15<=DD=E0=15=10
P
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Received on Mon Oct 09 2000 - 12:06:32 PDT
