Dear amber,
I met this problem when I calulate the free energy using the MMPBSA method,
there is a bad atom type Br. I read the mdread.f in $AMBERHOME/src/sander.There is
no parameter of bromine atom in it. I want to know the parameters of
x(l165-1+i),x(l170-1+i),x(l175-1+i),x(l180-1+i),x(l185-1+i)about bromine atom.
Waiting for your reply! Many thanks!
Sincerely, Pandb
March 29th,2010
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Received on Sun Mar 28 2010 - 18:30:03 PDT
