towhee-users Mailing List for MCCCS Towhee

On 12/17/06, Jianhui Li <jl...@it...> wrote:
> I am doing mine, seems to me that I need created ff***.F in the source
> folder, and towhee_ff_*** in the forcefield, do I have to add codes to
> vtwobody.F?

If your forcefield uses potentials that are already implemented into
the various energy routines then there would be nothing to add there
and all you need to do is create the ff**.F file, and add it to the
list in ffcreate.F in order to produce a force field file using the
current Towhee format.

For most small force fields that should work fine.  I still always
seem to have to implement more potentials whenever I am coding up a
force field, but I think that is because I have been tending towards
the larger force fields lately.  Hopefully I will get MMFF94 up some
time this week.

Marcus

-- 
Marcus G. Martin
http://www.photobirder.com
http://towhee.sourceforge.net

I am doing mine, seems to me that I need created ff***.F in the source
folder, and towhee_ff_*** in the forcefield, do I have to add codes to
vtwobody.F?

Merry Christmas!

Jianhui LI
[~@-@~]

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