Re: [gmx-users] Calculate Dihedrals

2012-02-24 Thread Justin A. Lemkul
francesca vitalini wrote: Hi GROMACS community, I have one problem: I need to calculate the dihedrals for a big system (so not possible to do it by hand using vmd) starting from a gro file. Do you know if it exists an efficient way of doing it? I've seen that the g_chi option exists, however, i

[gmx-users] Calculate Dihedrals

2012-02-24 Thread francesca vitalini
Hi GROMACS community, I have one problem: I need to calculate the dihedrals for a big system (so not possible to do it by hand using vmd) starting from a gro file. Do you know if it exists an efficient way of doing it? I've seen that the g_chi option exists, however, it doesn't suit for me as it ca