Thank you for your help.
I have arraged all my problems about frcmod file and now I can to run my
files whit Amber.
Best regards
María José
2014-09-10 8:43 GMT-03:00 David A Case <case.biomaps.rutgers.edu>:
> On Tue, Sep 09, 2014, Maria Osorios wrote:
> >
> > In Amber the angles, dihedral and bonds are described by two characters.
> > I need to define a structure using three characters per atom, for
> example:
> >
> > C23 is the carbon twenty three
>
> Remeber to distinguish between atom names and atom types. Atom names can
> be
> up to four characters long. Atom types can only be two characters long.
> Even though you may have 23 carbon atoms (each requiring a separate name),
> it
> would be most unusual to need 23 separate carbon types.
>
> Parameter files deal with atom types, not atom names. Since each character
> can be upper or lower case, or a digit, you have (26+26+10)**2 = 3844
> possible
> atom types.
>
> ....dac
>
>
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Received on Wed Sep 10 2014 - 14:00:03 PDT
