[gmx-users] Distance Calculation peptide-membrane

[Justin Lemkul]

On 12/26/19 6:01 PM, Subhomoi Borkotoky wrote:
> Hi,
>
>
> Please find the following link.
>
> https://drive.google.com/open?id=0BzFTh9SCRtetd0Eta21XR2hIY0hvZDRqLW9UemRfUl81Q0pz

That plot appears to be consistent with PBC jumps. Visualize the 
trajectory to confirm.

-Justin

> Thanks & Regards,
> --------------------------
> *Subhomoi B*
>
>
>
> On Thu, Dec 26, 2019 at 6:56 PM Justin Lemkul <jalemkul at vt.edu> wrote:
>
>>
>> On 12/26/19 11:34 AM, Subhomoi Borkotoky wrote:
>>> Hi,
>>>
>>> I am running a peptide-membrane analysis, where I want to check the
>>> distance between peptide and membrane over time (between center of mass).
>>> However, I am getting a graph like one pasted below even after pbc
>>> correction. Kindly suggest a possible solution.
>>>
>>> [image: image.png]
>> Image embedding does not work on this mailing list. Please upload an
>> image to a file-sharing service and provide a URL.
>>
>> -Justin
>>
>> --
>> ==================================================
>>
>> Justin A. Lemkul, Ph.D.
>> Assistant Professor
>> Office: 301 Fralin Hall
>> Lab: 303 Engel Hall
>>
>> Virginia Tech Department of Biochemistry
>> 340 West Campus Dr.
>> Blacksburg, VA 24061
>>
>> jalemkul at vt.edu | (540) 231-3129
>> http://www.thelemkullab.com
>>
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-- 
==================================================

Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129
http://www.thelemkullab.com

==================================================