Dear Users,
Can anybody please tell me how to calculate the volume of protein hydration
layer as a function of time? Apart from this I would also like to calculate
the volume of second hydration shell around a protein.
I can define hydration layer in two ways:
1. g_select
2. trjorder
If this calculation is possible in GROMACS, please guide me how to do it.
Thanks in advance,
Saumyak
--
================================
*Saumyak Mukherjee*
Junior Research Fellow
Prof. Biman Bagchi's Group
Solid State and Structural Chemistry Unit
Indian Institute of Science
Bangalore - 560012
Mob : 8017292426
Alternative e-mail : saumyakmukher...@gmail.com
smukher...@sscu.iisc.ernet.in
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