vidhya sankar wrote:
Dear justin,
Thank you for your previous reply
what is explicit and implicit solvent model ?
Please use Google and/or your favorite simulation textbook.
In gromacs Normally which one is implemented and
used bydefault
There is no default. You make the choice based on how you set up your system.
I want to use explicit solvent model in order to account electrostatic
effect of ions on H-bonding
I mean here i am studying the effect of ionic strength on h-bonding of
my protein for that Which tool of gromacs can i use to get proper result
Start with g_hbond. Beyond that, read the manual (Appendix D) for the
capabilities of all the different programs.
-Justin
--
========================================
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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