[gmx-users] Problems with pull simulation output - VMD shows broken up groups

[Justin A. Lemkul]

Justin A. Lemkul wrote:
> 
> 
> Natalie Stephenson wrote:
>>  
>> Hi,
>>
>> I've been having a problem with the pull simulation.  After the 
>> simulation is complete, I use trjconv to separate the pull file into 
>> seperate .gro's and load this into VMD.  When I view it in VMD as the 
>> 'video' continues parts of amino acids within the protein structure 
>> seem to jump a long way from the rest of that amino acid leaving a 
>> long bond between the two, which seems to remain there for the rest of 
>> the 'video'.  Can anyone tell me why this might be happening? And if 
>> there is a way of solving this problem?
>>
>> I tried to have a look through the archive for this problem but I have 
>> no idea what to even search.
>>
>> I would be immensely grateful for any light you could shed on this 
>> problem.
>>
> 

Sounds like FAQ #11.

http://www.gromacs.org/Documentation/FAQs

-Justin

>> Thanks in advance.
>> Natalie
>>
>>
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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