Re: [gmx-users] error while running mdrun

2012-12-17 Thread Justin Lemkul
On 12/17/12 8:47 PM, Christopher Samuel wrote: -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 On 17/12/12 21:57, ananyachatterjee wrote: [ganga:04205] *** Process received signal *** [ganga:04205] Signal: Segmentation fault (11) [ganga:04205] Signal code: Address not mapped (1) [ganga:04205]

Re: [gmx-users] error while running mdrun

2012-12-17 Thread Christopher Samuel
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 On 17/12/12 21:57, ananyachatterjee wrote: > [ganga:04205] *** Process received signal *** [ganga:04205] Signal: > Segmentation fault (11) [ganga:04205] Signal code: Address not > mapped (1) [ganga:04205] Failing at address: 0x201a01c20 Segmentation

Re: [gmx-users] error while running mdrun

2012-12-17 Thread Justin Lemkul
On 12/17/12 5:57 AM, ananyachatterjee wrote: Dear all, While running mdrun using following mdpparameters: title= Model MD ; Run parameters integrator= md nsteps= 500 dt= 0.002 ; Output control nstxout= 500 nstvout= 500 nstxtcout= 500 nstene

RE: [gmx-users] Error while running mdrun

2006-06-06 Thread Dallas B. Warren
> I have 403 atoms in my system. > While running the mdrun I am getting following error: > Fatal error: Max #atoms in a charge group: 403 > 32 > Any suggestion how to get rid of this? Reduce the size of your charge groups. From that warning, appears that for your system all 403 are within the sam