Re: [gmx-users] cool down problem

2013-10-31 Thread Riccardo Concu
Dear Justin, I ran a short simulation (200ps) with the cool down under NVT and now it seems the system is working. In addition, I removed from the NVT options the tc for all the groups. Thank you, Riccardo El jue, 31-10-2013 a las 08:31 -0400, Justin Lemkul escribió: > > On 10/31/13 8:25 AM, Ricca

Re: [gmx-users] cool down problem

2013-10-31 Thread Justin Lemkul
On 10/31/13 8:25 AM, Riccardo Concu wrote: Dear all, I'm having some problems during the cool-down process after the NVT. I'm running the NVT process at a T of 500K for 3ns and everything is going well but when I cool down the system blows up. I am running the cool down for 100ps, I tried to ru

[gmx-users] cool down problem

2013-10-31 Thread Riccardo Concu
Dear all, I'm having some problems during the cool-down process after the NVT. I'm running the NVT process at a T of 500K for 3ns and everything is going well but when I cool down the system blows up. I am running the cool down for 100ps, I tried to run the process for longer time (500 ps) and dec