On 5/10/17 4:16 AM, Changdong LIU wrote:
Dear GROMACS users,
I used pdb2gmx to generate topology file for the g_quadruplex DNA which
constains 3 potassiums.
If the 3 potassiums were deleted ,the pdb2gma successfully generated the
topology file for DNA.
But failed when the 3 potassiums
Take a look at you pdb file. May be potassium atom is defined as HETATM in
pdb. amber99sb-ildn ff has K in its ions.itp file.
On Wed, May 10, 2017 at 1:46 PM, Changdong LIU wrote:
> Dear GROMACS users,
>
>
> I used pdb2gmx to generate topology file for the g_quadruplex DNA which
> constains 3 p
Dear GROMACS users,
I used pdb2gmx to generate topology file for the g_quadruplex DNA which
constains 3 potassiums.
If the 3 potassiums were deleted ,the pdb2gma successfully generated the
topology file for DNA.
But failed when the 3 potassiums were added into the pdb file. The topol.top
