Dears:
when I get the AM1-BCC charge for hydrogen using commands (Amber 16): antechamber -i H2.pdb -fi pdb -o H2.mol2 -fo mol2 -c bcc -s 2 -at gaff2 -pf y , I got the following error information:
ERROR in load_lbfgs(): YS=0.
In the sqm.out , Also have this information: "XMIN ERROR: Status is -4"
How can I solve this problem. thanks!
Best wishes!
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Received on Wed Apr 12 2017 - 21:00:02 PDT
