Re: [gmx-users] How to make changes on Trajectory file?

[Rama Krishna Koppisetti]

O
kay...
T
hanks for prompt reply *Justin*
*
.




--Rama
**
*

On Mon, Jul 15, 2013 at 11:11 AM, Justin Lemkul  wrote:

>
>
> On 7/15/13 12:08 PM, Rama wrote:
>
>>
>> Hi,
>>
>> 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
>> any
>> 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
> around.
>
> -Justin
>
> --
> ==**
>
> 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@outerbanks.umaryland.**edu  | 
> (410)
> 706-7441
>
> ==**
>
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Re: [gmx-users] How to make changes on Trajectory file?

[Justin Lemkul]

On 7/15/13 12:08 PM, Rama wrote:


Hi,

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 any
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 around.


-Justin

--
==

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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[gmx-users] How to make changes on Trajectory file?

[Rama]

Hi,

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 any
command to alter the files.


Thanks in Advance

--Rama



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