Re: [gmx-users] Fatal error: Atom O4 in residue GLU 7 was not found in rtp entry

Yeah! But I don't want any charge at terminal residues. I think I should cap these by acetyl or amide moiety. Let me try this. On Fri, 6 Sep 2019, 19:45 Justin Lemkul, wrote: > > > On 9/6/19 4:32 AM, Navneet Kumar Singh wrote: > > Hello Everyone! > > > > I am trying to simulate five peptides al

Re: [gmx-users] Fatal error: Atom O4 in residue GLU 7 was not found in rtp entry

On 9/6/19 4:32 AM, Navneet Kumar Singh wrote: Hello Everyone! I am trying to simulate five peptides along with water using GROMACS. I have used the PACKMOL to prepare initail PDB files. Peptide were made using Schrodinger Maestro. I have got a final PDB file having the water molecules and ran

[gmx-users] Fatal error: Atom O4 in residue GLU 7 was not found in rtp entry

Hello Everyone! I am trying to simulate five peptides along with water using GROMACS. I have used the PACKMOL to prepare initail PDB files. Peptide were made using Schrodinger Maestro. I have got a final PDB file having the water molecules and randowmly distributed peptides. After that I am usin