Re: [gmx-users] segmentation fault in md

2016-10-03 Thread Justin Lemkul
On 10/3/16 2:38 AM, ISHRAT JAHAN wrote: Dear all I am trying to simulate 3M urea in a water box.when i do the mdrun of pr , i get too many LINCS warning and also segmentation fault(core dumped). I am pasting my em.mdp and pr.mdp file below- em.mdp ; ;User spoel (236) ;Wed Nov 3

[gmx-users] segmentation fault in md

2016-10-03 Thread ISHRAT JAHAN
Dear all I am trying to simulate 3M urea in a water box.when i do the mdrun of pr , i get too many LINCS warning and also segmentation fault(core dumped). I am pasting my em.mdp and pr.mdp file below- em.mdp ; ;User spoel (236) ;Wed Nov 3 17:12:44 1993 ;Input file ; cpp