[gmx-users] concenating cpt or not required?

Justin Lemkul jalemkul at vt.edu
Sun Sep 29 20:41:04 CEST 2013



On 9/29/13 2:32 PM, Xu Dong Huang wrote:
> Dear gromacs users,
>
> I just realized that even after trying to re-start a run, i still got separate name files (idk why), but I managed to combine err, xtc files, but don't know how to bring 2 .cpt files together, or is it not required? I'm trying to do NPT run next, and it will -t *.cpt, but I don't know if it matters that I don't have the 1st half, I only have the .cpt from restart run.
>

Checkpoints are individual moments in time that capture the state of the system. 
  There is no need to concatenate them, nor would doing so make any sense.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
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jalemkul at outerbanks.umaryland.edu | (410) 706-7441

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