[gmx-users] how to convert a dodecahedric trajectory into a triclinic one?

2013-01-16 Thread Anna Marabotti
Dear All, I performed a MD simulation of a protein into a rhombic dodecahedric box. Now I'd need to convert this dodecahedric box into a triclinic one (I mean, not only for one frame to obtain a .gro file, but for the entire trajectory). I think that it would be possible using trjconv command,

Re: [gmx-users] how to convert a dodecahedric trajectory into a triclinic one?

2013-01-16 Thread David van der Spoel
On 2013-01-16 16:03, Anna Marabotti wrote: Dear All, I performed a MD simulation of a protein into a rhombic dodecahedric box. Now I'd need to convert this dodecahedric box into a triclinic one (I mean, not only for one frame to obtain a .gro file, but for the entire trajectory). I think that it