[gmx-users] SAS of ligands

[Justin A. Lemkul]

Marzinek, Jan wrote:
> Dear Gromacs Users,
> 
>  
> 
> My system has 30 ligands - they aggregate and and seperate during the 
> simulation time and stack to two sites of my protein (two clusters). I 
> want to calculate the interface area between ligands and protein so I 
> need to substract the interface between ligands due to the aggregations. 
> Do you know how to do this?
> 

See the thread from just a few days ago about the same question:

http://lists.gromacs.org/pipermail/gmx-users/2011-July/062707.html

-Justin

>  
> 
> Thank you in advance!
> 
>  
> 
> Jan
> 

-- 
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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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