Hi,
My Ph.D. thesis is : To obtain a new amber forcefield by calculating (I will use GAUSSIAN09 for QM) the necessary parameters for bonds such as X-C X-C-H X-H for X element, not included in Gaff and to make molecular dynamic by using this forcefield.
However, I have not been able to find a clear tutorial for this. Is there an example you can suggest in this matter?
Most probably you can. You better ask the details about it in AMBER Forum.
Thanks for your answer Mr. Mandal, could you prrovide me Amber Forum web page pls?
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