Re: [gmx-users] Simulate the organic molecule => input / output error

Chih-Ying Lin wrote: Hi Does the Gromacs only recognize the residues in the pdb file? No... but pdb2gmx will only build a topology in an automated fashion if the residues are present in its databases. If they are not the standard amino acids in the library, Gromacs can't read, right??? A

[gmx-users] Simulate the organic molecule => input / output error

Hi Does the Gromacs only recognize the residues in the pdb file? If they are not the standard amino acids in the library, Gromacs can't read, right??? Or, how does the Gromacs simulate the organic molecule? The command pdb2gmx could not produce the top and the gro file. Instead, it shows that "