Hi there, I'm simulating the adsorption of H2 on a structure (Metal organic frame work), after making the pdb structure and running the first cmmand of gromacs to have gro file, I added two atoms of CU and one hydrogen molecule to the gro file and also changed the number of the atoms at the top of gro file. Then I run the following commands up to the command about energy minimization that I got this error( No such molecule type hydrogen), I want to ask that, gromacs knows H2 molecule, why it says that, no such molecule type? it means that I should introduce it agin in aminoacids.rtp file? -- Gromacs Users mailing list
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