Re: [gmx-users] RE: Energy Minimization/ NpT settling problem

On 12/21/12 2:57 PM, emmanuelle wrote: Thanks for your reply. 1.My cutoffs are OK. Indeed, changing them leads to the same problem. This outcome points to a topology or configuration issue. 2.My original box is 20nm in length. I generate it using genconf to avoid any lack of memory that ge

[gmx-users] RE: Energy Minimization/ NpT settling problem

Thanks for your reply. 1.My cutoffs are OK. Indeed, changing them leads to the same problem. 2.My original box is 20nm in length. I generate it using genconf to avoid any lack of memory that genbox could provide for a system of such a size. Then I use editconf to reach the required density of 1000