[gmx-users] generate .top file

[Mark Abraham]

On 25/12/2010 2:32 PM, shikha agarwal wrote:
> hello
> Merry Christmas.....
>
> this is my topol_pope.top file
> ; Include chain topologies
> #include "forcefield.itp"
> #include "pope.itp"
>
> ; Include water topology
> #include "spc.itp"
>
> ; Include ion topologies
> #include "ions.itp"
>
> ; System specifications
> [ system ]
> 340-Lipid POPE Bilayer
>
> [ molecules ]
> ; molecule name nr.
> POPE 340
> SOL 6729
>
>
> but it should contain protein molecule .what should be topology file 
> ,, how to generate that for system.gro according to tutorial. my 
> protein has  344 molecules .
>  I tried to use g_x2top but it is not available for gromos53a6.

You need an .itp file for your protein, and to #include it, and to 
adjust the [molecules] field suitably.

Mark