Re: [gmx-users] Position restraint on DPPC lipid bilayer

2017-04-07 Thread Justin Lemkul
On 4/7/17 1:20 AM, Sithara Perera wrote: Hi!, I' making a 512 DPPC bi-layer out of 128 bilayer available in http://www.cgmartini.nl. The force field used is martini. But once the energy minimization is done, the bi-layer crashes and accumulates to globules. So I made an position.itp

[gmx-users] Position restraint on DPPC lipid bilayer

2017-04-06 Thread Sithara Perera
Hi!, I' making a 512 DPPC bi-layer out of 128 bilayer available in http://www.cgmartini.nl. The force field used is martini. But once the energy minimization is done, the bi-layer crashes and accumulates to globules. So I made an position.itp file using the command gmx genrestr -f

[gmx-users] Position restraint on DPPC lipid bilayer

2017-04-06 Thread Sithara Perera
Hi!, I'm really new to Gromacs and I' making a 512 DPPC bi-layer out of 128 bilayer available in http://www.cgmartini.nl. The force field used is martini. But once the energy minimization is done, the bi layers crashes. So I made an position.itp file using the command gmx genrestr -f