Re: [gmx-users] gromacs.org_gmx-users Digest, Vol 144, Issue 119

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Re: [gmx-users] gromacs.org_gmx-users Digest, Vol 144, Issue 119

Hi, Indeed, Link atoms have to be added to the .gro file. The atom indexing in the .gro file is not used, so no need to renumber. A simple editconf can do that for you if too, if you would like to have the numbering correct. However, you need to adjust the total number of atoms at the top of