[gmx-users] any alternative methods?

Albert mailmd2011 at gmail.com
Wed Aug 22 15:54:36 CEST 2012


hello Justin:

  thanks for reply.
   I've checked this residue, it is close to protein but I am still 
curious for the value with 3.88. Even we also observe something 11, 13 
which are the same weired to me. here is the screen shot for this residue.

https://dl.dropbox.com/u/56271062/1.jpg

thanks again for comments
Albert



On 08/22/2012 03:16 PM, Justin Lemkul wrote:
>
>
> On 8/22/12 9:12 AM, Albert wrote:
>> hello Justin:
>>
>>   thanks for reply.
>>   I've read both the paper and manual script. As indicated from the 
>> output, I
>> found the following line:
>>
>> 368    4.295    3.8840018217
>>
>> I just wondering how could it possible fro residue 368 with a value 
>> of 3.88?
>>
>
> My guess would be that this particular lipid is probably bound very 
> tightly to some protein residue, which leads to the protein and lipid 
> both contributing to the lateral area in that region. In this case, 
> the protein contributes more area than the lipid does.  You should 
> look at the coordinate file and see what this residue is doing.




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