[gmx-users] Error in energy minimization step/could anyone help me

banijamali_fs banijamali_fs at ut.ac.ir
Sun Feb 24 16:24:42 CET 2019

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?

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