[gmx-users] [ bondedtypes ]

[Mark Abraham]

On 3/03/2012 5:17 AM, Lara Bunte wrote:
> Hi
>
> The first part in a .rtp file is the [ bondedtypes ] with syntax
>
> [ bondedtypes ]
> ; bonds    angles    dihedrals    impropers
>       1             1              1                 2
>
>
>
> 1.)
>
> What do this numbers mean? I found nothing in the manual to that.

Manual 5.6.1 - title "residue database".

Mark

>
>
>
> 2.)
> If you have improper dihedrals, do you really nead both in this section? Why not only impropers? 
>
> Thanks
> Greetings
>