Hi,
I'm doing energy calculations with GBSA of a MD of a protein with a
peptide as ligand.
But when I try to calculate to decompose per residue, an error is reported:
bad atom type: EC
/opt/amber10/exe/sander -O -i sander_com.in -o
sander_com.1.out -c ../01_Generate/snaps_com.crd.1 -p ../complex.top
not successful
How can I solve it?
Thank in advance,
Pedro Sánchez, PhD Student
Instituto de Química Médica CSIC
28006 Madrid - Spain
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Received on Tue Jan 24 2012 - 14:00:03 PST
