Re: [gmx-users] protein-ligand complex by gromacs

did you center everything, or are you just looking at it in VMD? Gesendet:Montag, 08. September 2014 um 18:30 Uhr Von:Mahboobeh Eslami mahboobeh.esl...@yahoo.com An:gmx-us...@gromacs.org gmx-us...@gromacs.org Betreff:[gmx-users] protein-ligand complex by gromacs hi GMX users i have simulated

[gmx-users] protein-ligand complex by gromacs

hi GMX users i have simulated the protein-ligand complex by gromacs. I've repeated the simulation twice but i have get very different results. in one of the simulations ligand separated from protein and stayed in the center of box. I've checked all of the input files and the steps , but I did

Re: [gmx-users] protein-ligand complex by gromacs

On 9/8/14 12:30 PM, Mahboobeh Eslami wrote: hi GMX users i have simulated the protein-ligand complex by gromacs. I've repeated the simulation twice but i have get very different results. in one of the simulations ligand separated from protein and stayed in the center of box. I've checked