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
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 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 not understand why this happened.
Please help me .
Thank you for your kindness
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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 not understand why this happened.
Please help me .
Thank you for your kindness
--
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* For (un)subscribe requests visit
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