On Mon, Sep 19, 2011, Yao Yao wrote:
> I was just wondering without xleap, there is a way I can modify or
> append the amber ff in AMBER.
The usual approach is to (use a text editor to) create a frcmod file with
changes to the Amber parameters; (this might include new atom types as
well).
You *can* directly edit the parameter files (such as ff10.dat). That
accompishes the same thing. The advantage of the frcmod approach is that all
your changes are collected in one file for review and checking.
...good luck....dac
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Received on Tue Sep 20 2011 - 05:00:04 PDT
