gromacs564 wrote:
Hi Erik and Justin
Thanks for your reply. I want to obtain the HBond's permanence
time.May be it's occupancies that you said.
So,could you send me the script?
The output you posted before suggested you were using my script for occupancy.
Is this not the case?
Hydrogen bond lifetime can be computed with g_hbond, as Erik said before.
-Justin
Thank you very much.
--
========================================
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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