I want to simulate RNA molecules containing modifications such as PSU with amber ff and GROMACS software. I have the gromacs compatible amber14sb_OL21.ff from https://fch.upol.cz/ff_ol/gmxOL21.php . But I do not know from where to get the force field for modifications. The paper corresponding to ff of modifications is Article AMBER Force Field Parameters for the Naturally Occurring Mod...
but I need this in GROMACS compatible mode.Is there anyone who has done such simulations and can provide me the force fields.
Hi, you can contact the authors and ask them whether they have converted the parameters for GMX compatibility.
Otherwise, it is slightly difficult to convert as you need to take care of units and other parameters. For a discussion, you can read this:
https://gromacs.org-gmx-users.maillist.sys.kth.narkive.com/9DTHn7HD/gmx-users-conversion-amber-to-gromacs
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