Hi
I want to do a Molecular Mechanic Energy minimisation using amber:
is it correct like this??
sander -O -i sander.in -o sander.out -p prmtop -c inpcrd -r restrt
with this sander.in
initial minimisation prior to MD
&cntrl
imin = 1,
maxcyc = 10000,
ncyc = 5000,
ntb = 0,
igb = 0,
ntc = 2,
ntf = 2,
cut = 12,
/
else? why i can do this?
Thanks
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Received on Fri Jan 16 2009 - 01:10:14 PST
