[gmx-users] still dealing with GFP-like chromophore with LINCS warnings

Dear gmx-users, I'm still dealing with the problem of GFP-like chromophore. To be honest, with the help of another gmx user, I was able to obtain the topology of my chromophore, in protonated and unprotonated form, and I started performing the simulations. For the protonated chromophore, all

Re: [gmx-users] still dealing with GFP-like chromophore with LINCS warnings

I did experience some troubles using Parrinello-Rahman after an equilibration with Berendsen. Trying many different time-constant was the solution ( I had to shift this constant from 10 ps for Berendsen to 5 ps for PR). Did you try to change it ? I do not know the fundamental reasons for this