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

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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
20 Penn St.
Baltimore, MD 21201

jalem...@outerbanks.umaryland.edu | (410) 706-7441

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