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.
Mark
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