Re: [gmx-users] Martini force field - coarse grained protein tutorials

Hello, I am also attempting to run Martini using version 5 and am getting the same two errors with an mdp file that worked (aside from warnings) on version 4.6.5. Does anyone have a solution to this problem? -David On Mon, Sep 15, 2014 at 3:37 AM, Sridhar Kumar Kannam srisri...@gmail.com wrote:

Re: [gmx-users] Martini force field - coarse grained protein tutorials

On 10/2/14 1:39 PM, David Ackerman wrote: Hello, I am also attempting to run Martini using version 5 and am getting the same two errors with an mdp file that worked (aside from warnings) on version 4.6.5. Does anyone have a solution to this problem? It's because the default cutoff scheme

Re: [gmx-users] Martini force field - coarse grained protein tutorials

Hi Tsjerk, Thank you. I missed those links. Now when I minimize the system (protein in vacuum) I am getting the following errors. I am using 5.0 version. ERROR 1 [file minimization-vaccum.mdp]: With Verlet lists only cut-off, reaction-field, PME and Ewald electrostatics are supported ERROR

[gmx-users] Martini force field - coarse grained protein tutorials

Hi All, I am a newbie to Gromacs and Martini force field. I begin with the tutorials - http://md.chem.rug.nl/cgmartini/index.php/proteins As this tutorial does not provide the .mdp files I have tried to built the .mdp files based on other Gromacs tutorials. But when I run the simulations I am

Re: [gmx-users] Martini force field - coarse grained protein tutorials

Hi Sridhar, Have you tried clicking on the .mdp file names in the commands, which are underlined and highlighted in blue? Seems to work for me. Cheers, Tsjerk On Sep 14, 2014 12:41 PM, Sridhar Kumar Kannam srisri...@gmail.com wrote: Hi All, I am a newbie to Gromacs and Martini force field.