[gmx-users] How to make changes on Trajectory file?
Rama Krishna Koppisetti
ramkishna72 at gmail.com
Mon Jul 15 18:16:33 CEST 2013
hanks for prompt reply *Justin*
On Mon, Jul 15, 2013 at 11:11 AM, Justin Lemkul <jalemkul at vt.edu> wrote:
> On 7/15/13 12:08 PM, Rama wrote:
>> I saved my coordinates every 500ps in production MD run, could I alter now
>> .xtc file by saving different coordinates for ex: every 100ps. Is there
>> command to alter the files.
> You can't create frames that aren't there. You can decrease the frame
> interval using trjconv -skip, but you can't perform magic the other way
> 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 <jalemkul at outerbanks.umaryland.edu> | (410)
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