I was giving first command of gromacs, I selected groos forcefield no. 14 the united atom charge but after that I encountered the error while funning the command pdb2gx that "Atom HN1 in residue PRO 4 was not found in rtp entry PRO with 9 atoms while sorting atoms." So how to correct it plz let me know. I am attaching the file below which contains chain A and 2 ligands,

Thanks and regards

More Amanpreet Kaur's questions See All
Similar questions and discussions