On 1/04/2011 10:57 AM, emen...@ucalgary.ca wrote:
Thanks for your promt reply Mark.
Of course I know what is the format, that is implied in my question....
Leaving things to implication is risky. People do misunderstand,
unfortunately. Fault in such cases varies :-) If what you actually want
is gbr and hct parameters for Martini atom types, everyone can use their
time better if you ask specifically about that.
what I would like to know is if anybody has the specific parameters for
the amber forcefield. I will try using the gbr parameters from the sigma
in the LJ potentials, but I am not sure about the proper hct (or the
other numbers) hence I am inquiring about this,
That manual section mentions the reference sources for these parameters,
which is why I referred to it. Whether there's any established procedure
for implicit solvation with Martini is probably a question for
literature search and speaking with the Martini developers.
Mark
Cheers.
Eduardo Mendez
Greetings,
I am trying to do Martini Forcefield + Implicit solvation model for a
large system and I need to supply parameters for the
[ implicit_genborn_params ]
section. Which I have not found.
The syntax is
Atomtype sar st pi gbr hct
Can anybody provide me a clue about where I can find these parameters?
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