[gmx-users] how can we modify *.rtp file (again again)

[Mark Abraham]

Hi,

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>
>    1.
>
>    Since we created covalent bond between glucose and insulin, Should we
>    consider Glucose as a reagent in residuetype.dat?
>

Doesn't matter unless you care about how default groups like "Protein" are
interpreted, e.g. for use with temperature-coupling groups.


>    2.
>
>    In the ffbonded.itp, Are CA and CHn same components?
>    3.
>
>    Do the bonds between C-O (single or double bond) include in gb_4?
>    4.
>
>    What's the meaning of OA and OM?
>

Some of these are covered in atomtypes.atp. Other clues may be in the
original literature for your force field, or how the interactions are used
in other .rtp entries.

Mark