Dear Amber users
I am running ALA scanning on the Protein-DNA complex. While i am running
ALA scanning module. Following error is interrupting the calculation. I
could not able to get my head around. Thanks
Loading and checking parameter files for compatibility...
sander found! Using /home/apps/amber/12cpu-only/bin/sander
cpptraj found! Using /home/apps/amber/12cpu-only/bin/cpptraj
Preparing trajectories for simulation...
Mutating trajectories...
MutantResError: Mutant residue 14 is ALA but must be GLY!
Exiting. All files have been retained.
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Received on Sun Oct 25 2015 - 09:00:03 PDT
