Hi,
I am calculating PBCALC for a protein-protein and protein-small molecule
sets.
My inputs are fine for protein-protein. but it is not working for small
molecules.
Calculating energy / entropy contributions
Calc contrib for ../01_gensnap/wtmol_com.crd.1
Calc MM/GB/SAS
Generate PDB
Center PDB
Calc PBSA
/usr/local/amber/exe/pbsa -O -i pbsa.in -o pbsa_com.1.out -c
../01_gensnap/wtmol_com.crd.1 -p ../wtmol.top not successful
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Received on Wed Aug 13 2008 - 06:07:18 PDT
