Dear sir
We make a pdb file for 10 trehalose and 1000 water molecules(cubic box) by
PACKMOL. we use ter card in packmol.
>From that pdb file we make top and crd file in XLEAP (amber10).
Then we tried for initial minimization
*min.in
*&cntrl
imin=1,
maxcyc=500,
ncyc=250,
ntb=1,
ntr=0,
cut=15.0
/
but the output file is not created.
How we solve this problame????....please give some help and where is going
wrong??
thanking you
subrata
IITGuwahati
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Received on Mon Dec 13 2010 - 03:00:03 PST
