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
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
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
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