Re: [gmx-users] Can I use slipids.ff + charmm36.ff to create a system?

2017-08-23 Thread Carlos Navarro
Hi Mark, I’ll look in more detail the literature regarding this situation. Thanks a lot for your reply. Best, Carlos -- Carlos Navarro Retamal Bioinformatic Engineering. PhD Postdoctoral Researcher in Center for Bioinformatics and Molecular Simulations Universidad de Talca Av. Lircay S/N, Talca,

Re: [gmx-users] Can I use slipids.ff + charmm36.ff to create a system?

2017-08-23 Thread Mark Abraham
Hi, The emails have been arriving, but you're asking a complicated series of questions. You need to find some literature that shows these protein and lipid force fields were parameterized in a compatible way, and even then you may need to show that you in fact get a physically reasonable result.

[gmx-users] Can I use slipids.ff + charmm36.ff to create a system?

2017-08-23 Thread Carlos Navarro
Dear gmx users, This is the third time I’m sending this email, but for some reason is not been accepted. I’m trying to set up a system consisting in a protein embebed into a bilayer. The whole system contains approximately ~40 atoms, so to speed up the simulation I'm using virtual sites. I