Re: [gmx-users] slow speed

2010-04-16 Thread Jochen Hub
nstlist = 50 ; ns algorithm (simple or grid) = ns_type = grid Oups, you are dong neighbor searching only every 50fs. Are you sure this is what you want? If you have a biological system this is probably not often enough. In biological systems people

[gmx-users] slow speed

2010-04-15 Thread Shuangxing Dai
Hi, gmx-users: I am using latest version of gromacs and found it was really slow. I was wondering anyone got the same experience and can point out where the problem is. I was running double precision for MD. But for each dynamics simulation, it takes 4 days. I should only take two or three

Re: [gmx-users] slow speed

2010-04-15 Thread Justin A. Lemkul
Shuangxing Dai wrote: Hi, gmx-users: I am using latest version of gromacs and found it was really slow. I was wondering anyone got the same experience and can point out where the problem is. I was running double precision for MD. But for each dynamics simulation, it takes 4 days. I