Re: [gmx-users] Membrane tutorial regarding,

Yea, I haven't. I should do that first. Thank you. On Wed, Apr 11, 2018 at 12:29 AM, Justin Lemkul wrote: > > > On 4/10/18 2:58 PM, RAHUL SURESH wrote: > >> Dear Justin, >> >> Why there are 6 equilibrations MDP's generated and how could I use one? >> Which one should be opted

Re: [gmx-users] Membrane tutorial regarding,

On 4/10/18 2:58 PM, RAHUL SURESH wrote: Dear Justin, Why there are 6 equilibrations MDP's generated and how could I use one? Which one should be opted for? All of them, in sequence, if you want to follow the recommended Membrane Builder protocol (you should read that reference if you

Re: [gmx-users] Membrane tutorial regarding,

Dear Justin, Why there are 6 equilibrations MDP's generated and how could I use one? Which one should be opted for? I found a Readme python script and is that one should be executed it? Thank you On Tue, Apr 10, 2018 at 11:53 PM, Justin Lemkul wrote: > > > On 4/10/18 2:21

Re: [gmx-users] Membrane tutorial regarding,

On 4/10/18 2:21 PM, RAHUL SURESH wrote: Dear Users, Performing membrane simulations using charmm36 ff. The Protein/membrane system is constructed using charmm-gui [POPC] . The system was then used in gromacs 2016.4 for simulation . Following the simulation tutorial, *gmx pdb2gmx -f

[gmx-users] Membrane tutorial regarding,

Dear Users, Performing membrane simulations using charmm36 ff. The Protein/membrane system is constructed using charmm-gui [POPC] . The system was then used in gromacs 2016.4 for simulation . Following the simulation tutorial, *gmx pdb2gmx -f KALP-15_princ.pdb -o KALP-15_processed.gro -ignh -ter