[gmx-users] concenating cpt or not required?
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 A. Lemkul, Ph.D.
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
More information about the gromacs.org_gmx-users