Dear Friends,
Thanks for your guidance.
I created min,in file and gave this--
initial minimization with Cartesian restraints for the solute
&cntrl
imin=1, maxcyc=200,
ntpr=5,
ntr=1,
restraint_wt=500.0,
restraintmask=':1-1944',
/
my protein is hexamer and wants to fix whole protein as I wants to do energy
minimization for solvant only.
but sander is not running properly and showing segmentation fault..why this
is so?
Thanks in advance
--
Anamika Awasthi
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Received on Wed Apr 30 2008 - 06:07:44 PDT
