Re: [gmx-users] Add acetyl and amide caps to a peptide with pdb2gmx

Stephane Abel wrote: Hi gromacs users I would like to add a acetyl and amide caps (N and C term) to a peptide for subsequent simulations with with GMX(v4.05) and the ffG53a6 ff . For this purpose i have added manually the missing atoms in my pdb files taken from the protein databank My pd

[gmx-users] Add acetyl and amide caps to a peptide with pdb2gmx

Hi gromacs users I would like to add a acetyl and amide caps (N and C term) to a peptide for subsequent simulations with with GMX(v4.05) and the ffG53a6 ff . For this purpose i have added manually the missing atoms in my pdb files taken from the protein databank My pdb file has the following