[gmx-users] checkpoint file
joojoojooon at gmail.com
Mon Aug 13 22:54:24 CEST 2012
My cpt file doesnt contain any information?!!
gmxcheck -f md.cpt gives the following:
Checking file md.cpt
# Atoms 20688
Last frame -1 time 7468.965
Item #frames Timestep (ps)
Is this a valid cpt file?
On 13 August 2012 16:36, Justin Lemkul <jalemkul at vt.edu> wrote:
> On 8/13/12 4:34 PM, Juliette N. wrote:
>> I am using the same line, but it crashes...Is that because my trr
>> files is big that it cand append the files? It was ~ 40 GB when crash
>> I am using 4.5.4. I tried both with and without -append.
> If it fails with and without the -append option, then that's clearly not the
> problem. There would be a distinct error printed if there were a problem
> with appending to any file.
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
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