subject:"\[gmx\-users\] Protein\-POPC\-water"

Re: [gmx-users] Protein-POPC-water

2012-12-11 Thread Justin Lemkul

On 12/11/12 8:45 AM, Shima Arasteh wrote: Dears, I am trying to simulate a system of water, POPC and protein using charmm36 ff. I follow the protocol suggested in KALP15-DPPC tutorial. I follow the tutorial step by step up to NVT equilibration without any bond or any other type warnings.

[gmx-users] Protein-POPC-water

2012-12-11 Thread Shima Arasteh

Dears, I am trying to simulate a system of water, POPC and protein using charmm36 ff. I follow the protocol suggested in KALP15-DPPC tutorial. I follow the tutorial step by step up to NVT equilibration without any bond or any other type warnings. Then I run the grompp : # grompp -f nvt.mdp