[gmx-users] Regarding AIB RESIDUE NOT FOUND IN RESIDUE TOPOLOGY DATABASE

[ajaniharesh at gmail.com]

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