CCL: Forcefield parameters transformation - derivation ?

[Marek Malý <marek.maly#%#ujep.cz>]

 Sent to CCL by: =?iso-8859-2?Q?Marek_Mal=FD?= [marek.maly===ujep.cz]
 Dear all,
 I would like to simulate carbosilanes and later their complexes with
 organic macromolecules using Amber software.
Unfortunately Amber forcefields do not contain proper ff parameters
 for
 silicon.
In spite of this fact there is still possibility to simulate my
 Si-based
 molecules in Amber
 but I have to find proper parameters (e.g. bond, angle, dihedral)
 somewhere elsewhere ...
 I need ff parameters for Si in this contexts:
 C-C-C-Si, Si-O-C-C, C-Si-C-H etc.
 So I see here two solutions:
 A)
To import relevant parameters from another forcefields like CVFF,
 PCFF,
 MM2, MM3 ...
Regarding to this point it would be nice to have some routine which
 could
 be able to convert
 one forcefield file XYZ to ff file written in Amber format. If possible
 not to
 transform just text formating of the source XYZ ff file with respect of
 Amber formating,
 but also to transform properly the parameters values with respect to
 eventual diferences in units or analytic
 formulas for interatomic forces.
 B)
To derive all the necessary parameters using some intelligent
 (probably
 quantum mechanics based) software which could be able
 to do this analysis for small residua provided for example in PDB
 format.
 Again would be nice to have this parameters
 in format compatible with Amber ff.
I am kindly asking for any (even only partial) information regarding
 to
 this topic or just for redirecting to
 relevant information resources. Of course that I will be grateful not
 only
 for info related to some appropriate SW
 which can help me regarding to A) or B) but I will also appreciate any
 info based on own experiences, strategies, suggestions, warnings  ...
 regarding to this topic.
 Best regards,
    Marek
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