Re: [gmx-users] Tabulated potential segmentation fault

2012-04-16 Thread Laura Leay
On Fri, 2012-04-13 at 11:01 +1000, Mark Abraham wrote: On 13/04/2012 2:48 AM, Laura Leay wrote: All, I'm trying to run a tabulated soft core potential with the form V = A + Br^2 + Cr^3 up to about r=0.1 A and the normal LJ 6-12 potential after this. I've chosen the parameters of

Re: [gmx-users] Tabulated potential segmentation fault

2012-04-16 Thread Mark Abraham
On 17/04/2012 1:50 AM, Laura Leay wrote: On Fri, 2012-04-13 at 11:01 +1000, Mark Abraham wrote: On 13/04/2012 2:48 AM, Laura Leay wrote: All, I'm trying to run a tabulated soft core potential with the form V = A + Br^2 + Cr^3 up to about r=0.1 A and the normal LJ 6-12 potential after this.

Re: [gmx-users] Tabulated potential segmentation fault

2012-04-12 Thread Mark Abraham
On 13/04/2012 2:48 AM, Laura Leay wrote: All, I'm trying to run a tabulated soft core potential with the form V = A + Br^2 + Cr^3 up to about r=0.1 A and the normal LJ 6-12 potential after this. I've chosen the parameters of this equation to be the same for all atoms in my system (a