Re: [gmx-users] molecule breakage during minimization

2020-01-05 Thread Dallas Warren
The molecules will not be broken, it is a visualisation artifact. http://manual.gromacs.org/documentation/2018.5/user-guide/terminology.html#periodic-boundary-conditions Catch ya, Dr. Dallas Warren Drug Delivery, Disposition and Dynamics Monash Institute of Pharmaceutical Sciences, Monash Univer

[gmx-users] molecule breakage during minimization

2020-01-02 Thread Yogesh Sharma
Hello everyone, Before equillibriation I was trying to minimize my protein membrane system. energyminimized.gro file when vizualized in vmd showed few lipid molecules broken. Is it safe to use trjconv to make whole molecule after em or i can proceed with breakage? This is the minimization.mdp file