Hi everybody,
after I get through the mmpbsa-tutorial I wanted to do this with one
of my complexes. It worked fine until I extracted the binding energy.
I occured the following error which I can't explain because it worked
during the tutorial:
$AMBERHOME/exe/mm_pbsa.pl binding_energy.mmpbsa > binding_energy.log
Use of uninitialized value in concatenation (.) or string at
/opt/amber11/src/mm_pbsa/mm_pbsa_createinput.pm line 596.
Use of uninitialized value in concatenation (.) or string at
/opt/amber11/src/mm_pbsa/mm_pbsa_createinput.pm line 596.
Use of uninitialized value in concatenation (.) or string at
/opt/amber11/src/mm_pbsa/mm_pbsa_createinput.pm line 596.
/opt/amber11/bin/sander -O -i pbsa_com.in -o pbsa_com.1.out -c
./snapshot_com.crd.1 -p ./1q3w_out.prmtop not successfu
Thanks in advance
Bernhard
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Received on Thu Feb 17 2011 - 07:30:04 PST
