Dear Dongshan,
On Thu, 27 Mar 2014 18:01:07 +0800
Dongshan Wei <dswei0523.gmail.com> wrote:
> I considered to use DL_FIELD to do the FF conversion, but I found
> DL_FIELD just can deal with the Amber ff03 force field. So I decided
> to write a code.
I think you should get the author of DL_FIELD, Chin Yong, to provide a
conversion for other force fields. I just reminded him yesterday that
ff03 wouldn't be my first choice. I think it is not used that much. An
issue with DL_FIELD may be that the conversion from AMBER format to
DL_FIELD format is not (fully) automatic and that's why these may not
be available yet.
Cheers,
Hannes.
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Received on Thu Mar 27 2014 - 04:00:02 PDT
