Re: [gmx-users] Odd behaviour of editconf or VMD?

2016-08-30 Thread Quyen V. Vu
> > Hi, > > > > I am trying to solvate a small DNA molecule. Since I don't want so > > > > simulate more waters than what is really neccessary, I decided to try the > > dodecahdron and octahedron unit cells. > > > > After I added waters I went to examine the resulting structures in VMD > >

Re: [gmx-users] Odd behaviour of editconf or VMD?

2016-08-30 Thread Tsjerk Wassenaar
Hi Jernej, This is simpler in two dimensions: Consider a hexagonal unit cell. Draw it, together with the surrounding copies (7 hexagons total). Now connect the central hexagon with the right horizontal neighbor, and with the 'northeast' neighbour. Connect these two neighbors with their other

[gmx-users] Odd behaviour of editconf or VMD?

2016-08-30 Thread Jernej Zidar
Hi, I am trying to solvate a small DNA molecule. Since I don't want so simulate more waters than what is really neccessary, I decided to try the dodecahdron and octahedron unit cells. After I added waters I went to examine the resulting structures in VMD only to find that the octahedron and