Hello, everyone
As we are known, If we want to get the parameters of samll drug's molecules,we can use the "antechamber" of AmberTool to build the file of *.frcmod. Then we could be easy to obtain the files of "parmtop and inpcrd".
But the animo acid is not the completely molecule at "C- and N-" terminator. If I have the "LYS-epsilon-CH3", How should I build this paramters for it? Could somebody give me some fit methods?
Thanks!
Aurum
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Received on Tue Feb 02 2010 - 01:30:02 PST
