[gmx-users] calculate residence time for a protein complex

Mark Abraham Mark.Abraham at anu.edu.au
Mon Aug 22 12:01:01 CEST 2011

On 22/08/2011 6:22 PM, aiswarya pawar wrote:
> Hi,
> I have simulated a protein complex and now i would like to know the 
> residing water molecules between the protein complex. g_hbond and 
> trjorder helps in giving the number of hydrogen bonds and distance. 
> but is this the residence time calculation. please help me with this. 
> there few posts given in the archives regarding the residence time 
> which is not very clear to me. but will the residence time calculation 
> same for single protein and complex

Please do not cross-post requests for help to the mailing list and 
private individuals who have not advertised interest in such personal 
email. I do not even know what the definition of an H-bond residence 
time is. Hopefully somebody who does is reading the list.


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