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

aiswarya pawar aiswarya.pawar at gmail.com
Mon Aug 22 10:22:32 CEST 2011


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

Thank you,
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