Dear Amber Users,
I try use Sander to minimize a 11-mer B-DNA in amber7. When I use XLeap to load the pdb file of this duplex, it shows total charge -20. But in output file of minimization, it says "Sum of charges from parm topology file = -9.9999999".
here is the minimization input file:
&cntrl
ntb = 0,
dielc = 4.0, cut = 9.0,
scnb = 2.0, scee = 1.2,
imin = 1,
maxcyc = 1000, ncyc= 100,
&end
&ewald
eedmeth = 5,
&end
Why the total charge is not -20 in minimization? Thanks for your help.
Ying Li
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Received on Wed Jan 14 2004 - 15:53:03 PST
