Hello sir, I am using gromacs 4.5.3 version. I am doing 12 amino acid peptide simulation. But my peptide have some non standard amino acid like AIB,NLE After fire pdb2gmx comand i am getting follwing error in simulation.
''Residue NLE not found in residue topology database.'' What to do next for this error ? Can I have to use prodrg for non standar amino acid ? Thanks in advance HARESH AJANI -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
