[gmx-users] Question about pdb2gmx

Eric Smoll ericsmoll at gmail.com
Mon Jul 27 12:48:57 CEST 2015


Hello gromacs users,

As far as I understand, pdb2gmx only works for the residues/molecules
defined in aminoacids.rtp. It cannot read coordinate data and infer the
atomtype, charge, and connectivity from the structure file atomnames,
correct?

Best,
Eric


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