Re: [gmx-users] CHARMM GUI membrane builder's assembled output

2019-09-23 Thread Justin Lemkul
On 9/19/19 2:24 PM, Yogesh Sharma wrote: Greetings, I used charmm gui's custom Membrane/protein builder to assemble components for MD simulation. It gave me equillibriated box. I am confused whether I should equllibriate box again or not? From which step should I start in Gromac,Energy

[gmx-users] CHARMM GUI membrane builder's assembled output

2019-09-19 Thread Yogesh Sharma
Greetings, I used charmm gui's custom Membrane/protein builder to assemble components for MD simulation. It gave me equillibriated box. I am confused whether I should equllibriate box again or not? From which step should I start in Gromac,Energy minimization, equillibriation or Production MD? --