Hello:
I am using the following settings for output file:
dt = 0.002 ; Time-step (ps)
nsteps = 25; Number of steps to run (0.002 * 50
= 1 ns)
; Parameters controlling output writing
nstxout = 500 ; Write coordinates to
On 4/28/13 8:04 AM, Albert wrote:
Hello:
I am using the following settings for output file:
dt = 0.002 ; Time-step (ps)
nsteps = 25; Number of steps to run (0.002 * 50 = 1 ns)
; Parameters controlling output writing
nstxout = 500
On 04/28/2013 02:08 PM, Justin Lemkul wrote:
This looks like a pretty clear bug to me, especially the negative file
size, which cannot possibly make sense. What version of Gromacs is this?
-Justin
hi Justin:
thanks a lot for kind comments. I am using the latest 4.6.1 with GPU
production.
On 4/28/13 8:09 AM, Albert wrote:
On 04/28/2013 02:08 PM, Justin Lemkul wrote:
This looks like a pretty clear bug to me, especially the negative file size,
which cannot possibly make sense. What version of Gromacs is this?
-Justin
hi Justin:
thanks a lot for kind comments. I am using
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