[gmx-users] Convert CNS .top into a GROMACS .itp for a small ligand?

[massimo sandal]

2013/8/19 Justin Lemkul <jalemkul at vt.edu>

>
>
>>
> An .itp is just a topology, so it's identical to a .top except that it
> does not have system-level directives and does not #include a parent force
> field.  Manual sections 5.7.1 and 5.7.2 describe the relevant contents.
>
>
>
I know - just to be sure we're understanding each other, I know it's
identical to a *GROMACS* .top , not the CNS one. :)

In 5.7.1 and 5.7.2 yes,there is description of the topology file format,
but I'm unsure what you precisely meant with the ffbonded.itp / charge
groups stuff you said I have to refer in.
Will go from there. Thanks.

Massimo



> -Justin
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