Re: [gmx-users] Vectors in non-cubic box

Hi Afsaneh, Sorry for missing out on that one. Yes, all tools properly deal with tric. cells. Cheers, Tsjerk On Mar 5, 2011 7:24 AM, "afsaneh maleki" wrote: Thanks Dear Tsjerk g_hbond has the compatibility with non-cubic (or parallelpiped) cells? Best wishes, Afsaneh -- gmx-users mailing li

Re: [gmx-users] Vectors in non-cubic box

Thanks Dear Tsjerk g_hbond has the compatibility with non-cubic (or parallelpiped) cells? Best wishes, Afsaneh -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Searc

Re: [gmx-users] Vectors in non-cubic box

Hi Afsaneh, The PBC and the .gro file format are explained in the manual, chapter 3. The last line of the .gro file has the box stored as XX YY ZZ XY XZ YX YZ ZX ZY Cheers, Tsjerk On Mar 5, 2011 6:03 AM, "afsaneh maleki" wrote: Hi, I want to create *.gro file with simulation box size as fo

[gmx-users] Vectors in non-cubic box

Hi, I want to create *.gro file with simulation box size as following: 3.460467452 0. 0. 1.730233726 2.9968527222000 0. 0. 0. 10.00 I used the command: ]editconf –f *.pdb –o *.