Re: [gmx-users] force field parameters clashing

On 1/15/18 1:27 PM, Harsha Ravishankar wrote: Hello Justin, Thanks for the reply. I only make use of Charmm GUI to generate the membrane patch, as I need to orient my protein in a particular orientation. However when I made use of the .itp forcefield files in gmx grompp -f ions.mdp -c solvate.

Re: [gmx-users] force field parameters clashing

Hello Justin, Thanks for the reply. I only make use of Charmm GUI to generate the membrane patch, as I need to orient my protein in a particular orientation. However when I made use of the .itp forcefield files in gmx grompp -f ions.mdp -c solvate.gro -p topol.top -o ions.tpr I get errors stating

Re: [gmx-users] force field parameters clashing

On 1/15/18 9:45 AM, Harsha Ravishankar wrote: Dear All, I am a beginner with Gromacs and simulations and I want to simulate a membrane and protein complex with the membrane comprising of 5 different lipid molecules. The membrane was generated with Charmm-GUI and the appropriate Gromacs paramet

[gmx-users] force field parameters clashing

Dear All, I am a beginner with Gromacs and simulations and I want to simulate a membrane and protein complex with the membrane comprising of 5 different lipid molecules. The membrane was generated with Charmm-GUI and the appropriate Gromacs parameters for the different lipids were also obtained.