Dear list,
I am a little bit confused regarding the preparation needed to use the AMBER FF
in GROMACS 5.0.1. I have a simple PDB file of a protein and I use this as
input to pdb2gmx. I selected the AMBER FF during the creation process:
gmx_mpi pdb2gmx -f protein.pdb -o protein_processed.gro
On 9/29/14 5:58 AM, Ebert Maximilian wrote:
Dear list,
I am a little bit confused regarding the preparation needed to use the AMBER FF
in GROMACS 5.0.1. I have a simple PDB file of a protein and I use this as
input to pdb2gmx. I selected the AMBER FF during the creation process:
gmx_mpi
14:27
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] AMBER FF naming and caps
On 9/29/14 5:58 AM, Ebert Maximilian wrote:
Dear list,
I am a little bit confused regarding the preparation needed to use the AMBER
FF in GROMACS 5.0.1. I have a simple PDB file of a protein and I use
