Greetings:
After creating the frcmod file to use leap, there are come atoms that need revision. I know that I have to do this manually but I am not sure about what information it is specifically stated here. I can only interpret that:
The BOND sec con the information is the a type of frequency and the bond length.
The ANGLE section an interval of the possible angles
The DIHE section I am honestly not sure.
Anyone can help?
Maxier Acosta Santiago
Undergraduate Student
Department of Chemistry
University of Puerto Rico,
Rio Piedras Campus
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Received on Wed Nov 21 2012 - 12:30:02 PST
