I am calculating the solvent accessible surface area od my solute .I got an
error as bad atom type , following up th error I need to change in mread.f
file in sander .
Can any one help me to understand the specifications provided for the atoms
in the mdread.f file (after line 1080) ,how can I modify this for Fe.
Thanks
Kirtana
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Received on Mon Oct 03 2011 - 14:30:03 PDT
