[gmx-users] cmaptypes format

[francesco oteri]

Thank you so much


2013/2/19 Per Larsson <per.larsson at sbc.su.se>

> Hi Francesco
>
> That number corresponds to a type for each cmap-entry. The idea (iirc, it
> was some time ago) was that it could be useful to be able to have multiple
> cmap-types (other grid values, different grid spacing etc) for the same
> cmap-dihedral (much like different torsions etc...), but based on a quick
> look in the code, the support for that is very limited. It should probably
> not be touched right now.
>
> Cheers
> /Per
>
>
> 19 feb 2013 kl. 15:43 skrev francesco oteri:
>
> > Dear gromacs users,
> > I am trying to figure out the meaning of the cmaptypes section in file
> > section.
> > As far as I understood, taking the following entry as example:
> >
> > C NH1 CT1 C NH1 1 24 24\
> >
> > C NH1 CT1 C   = phi
> > H1 CT1 C NH1 = psi
> >
> > 24*24 = dimension of the grid
> >
> > My question is: what does the 1 mean?
> >
> > Best,
> > Francesco
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-- 
Cordiali saluti, Dr.Oteri Francesco