Re: [gmx-users] Minimization Problems

2012-02-01 Thread Mark Abraham
On 2/02/2012 3:42 PM, lina wrote: On Thu, Feb 2, 2012 at 12:36 PM, Alex Seling wrote: Hello, I've recently been having trouble with my simulations blowing up. Specifically, "This usually means your system is exploding, if not, you should increase table-extension in your mdp file or with user

Re: [gmx-users] Minimization Problems

2012-02-01 Thread Mark Abraham
On 2/02/2012 3:36 PM, Alex Seling wrote: Hello, I've recently been having trouble with my simulations blowing up. Specifically, "This usually means your system is exploding, if not, you should increase table-extension in your mdp file or with user tables increase the table size" for a few in

Re: [gmx-users] Minimization Problems

2012-02-01 Thread lina
On Thu, Feb 2, 2012 at 12:36 PM, Alex Seling wrote: > Hello, > > I've recently been having trouble with my simulations blowing up. > Specifically, > > "This usually means your system is exploding, > if not, you should increase table-extension in your mdp file > or with user tables increase the tab

[gmx-users] Minimization Problems

2012-02-01 Thread Alex Seling
Hello, I've recently been having trouble with my simulations blowing up. Specifically, "This usually means your system is exploding, if not, you should increase table-extension in your mdp file or with user tables increase the table size" for a few interactions, with each of them approaching inf

Re: [gmx-users] minimization problems

2009-01-08 Thread David van der Spoel
Hongyan Xiao wrote: Hi, gmx-users, I built a system,decane(42molecule)/water(903)/decane(42), including the two decane/water interfaces. However, when I minimized this system, I found the system turn into water/decane(84)/water. That is to say in the initial system two parts of decane turn

[gmx-users] minimization problems

2009-01-08 Thread Hongyan Xiao
Hi, gmx-users, I built a system,decane(42molecule)/water(903)/decane(42), including the two decane/water interfaces. However, when I minimized this system, I found the system turn into water/decane(84)/water. That is to say in the initial system two parts of decane turn into a part, while wate