Fw: Fw: [gmx-users] How to restart the crashed run

Justin Lemkul jalemkul at vt.edu
Tue Sep 17 12:00:57 CEST 2013

On 9/17/13 5:58 AM, Mahboobeh Eslami wrote:
> dear mark
> will all my output write well after restart and are their names md?
> will old my output reconstruct or will generate new output?

The default behavior of mdrun is to append to existing files.  Otherwise, you 
can use -noappend to get a new set of files that can be concatenated later.



Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

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


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