Dear all
Hi
I have an organic molecule which has a charge of +1. I am new to amber
and I do not know where and how I could put the charge in the command
line below which is found in the TUTORIAL 4 –(Antechamber to Create
Leap Input Files ).
$AMBERHOME/exe/antechamber -i filename.pdb -fi pdb -o filename.mol2 -fo
mol2 -c bcc -s 2
I thank you very much for your help
With regards
Workalemahu
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Received on Fri May 29 2009 - 01:14:38 PDT
