Re: [gmx-users] Atom CA used in that entry is not found in the input file

On 4/26/20 4:45 PM, Daniel Burns wrote: Hello, I edited a few selenomethionine residues, changing "S" to "SD" and removed the "SE" at the end of the line. I then ran pdb2gmx with Charmm36. I get the following error (not sure why the residue number doesn't match): Fatal error: Residue 324

[gmx-users] Atom CA used in that entry is not found in the input file

Hello, I edited a few selenomethionine residues, changing "S" to "SD" and removed the "SE" at the end of the line. I then ran pdb2gmx with Charmm36. I get the following error (not sure why the residue number doesn't match): Fatal error: Residue 324 named GLY of a molecule in the input file was