Re: [gmx-users] Temperature in CG production runs

2018-10-31 Thread Justin Lemkul
On 10/30/18 7:26 AM, Yasser Almeida Hernández wrote: The reference temperature depends on what you want to model, and how well the force field reproduces the phase transition temperature of the lipids. If, for example, the force field requires higher temperature for a lipid type to remain

Re: [gmx-users] Temperature in CG production runs

2018-10-30 Thread Yasser Almeida Hernández
The reference temperature depends on what you want to model, and how well the force field reproduces the phase transition temperature of the lipids. If, for example, the force field requires higher temperature for a lipid type to remain liquid crystalline than it should, you have to decide if the

Re: [gmx-users] Temperature in CG production runs

2018-10-29 Thread Justin Lemkul
On 10/29/18 6:34 AM, Yasser Almeida Hernández wrote: Dear all, I am performing CG simulations (Martini) of a membrane protein in an heterogeneous model bilayer with several lipids, resembling the inner membrane from E. coli. Looking in the literature, I have seen that the temperature for

[gmx-users] Temperature in CG production runs

2018-10-29 Thread Yasser Almeida Hernández
Dear all, I am performing CG simulations (Martini) of a membrane protein in an heterogeneous model bilayer with several lipids, resembling the inner membrane from E. coli. Looking in the literature, I have seen that the temperature for production runs range from 300-330K, which are a big