Re: [gmx-users] Protein angles / single point calculations

2012-01-12 Thread Mark Abraham
On 12/01/2012 9:14 PM, Matthias Ernst wrote: Hi, I have some questions. First, what dihedral angles will Gromacs produce and use in topology when simulating proteins? To be more specific, I was looking for psi (N-C(a)-C-N) and phi (C-N-C(a)-C) angles in all the dihedrals that were generated b

[gmx-users] Protein angles / single point calculations

2012-01-12 Thread Matthias Ernst
Hi, I have some questions. First, what dihedral angles will Gromacs produce and use in topology when simulating proteins? To be more specific, I was looking for psi (N-C(a)-C-N) and phi (C-N-C(a)-C) angles in all the dihedrals that were generated by pdb2gmx. I only found the psi angles but not