Dear community,
I met this problem:there is a bad atom type Br in my system when I calulate the
free energy using the MMPBSA method. I read the mdread.f in $AMBERHOME/src/sander.
There is no Br in it. I want to know the parameters of P1,P2,P3,P4 about bromine.
Waiting for your reply! Many thanks!
Sincerely, Pandb
March 25th,2010
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Received on Thu Mar 25 2010 - 03:30:03 PDT