Re: [gmx-users] residue-residue interaction energies

d the last frame to read from trajectory? If not, could you please suggest me the correct way to do so? thank you again. Federico On Sat, Oct 6, 2012 at 4:54 AM, Justin Lemkul wrote: > > > On 10/5/12 1:40 PM, federico vaglio wrote: > >> Dear all, >> I would like to extract t

[gmx-users] residue-residue interaction energies

Dear all, I would like to extract the interaction energies (LJ and electrostatic) between each residue pairs from my trajectory. The g_enemat tool generates only 3 xpm image files (Coul-SRemat.xpm, LJ-SRemat.xpm, totalemat.xpm) but not a "data" file with the residue-residue interaction energies I'm