[gmx-users] Black whole simluations

[Jiang ran]

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    Deear mister Ben,
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    I don't know if your mail is serious, however I find your system very=
 interesting.  Personally we think you mail might be joke, however I will=
 do besst I can do helping you. My professor had once similar good idea. =
We are currently implementing relativistic equations of motion (lorentz t=
ransformations) for gromacs 5.0.=20
    One could actually very interestingly study absortion of protein on b=
lack whole surface and calculate free energies. =20
    On other next interesting thing,  my professor also expect that photo=
 driven processes in protein as studied here:
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    G. Groenhof, L.V. Schaefer, M. Boggio-Pasqua, H. Grubmueller and M.A.=
 Robb.
    Arginine52 controls the photoisomerization process in photoactive yel=
low protein.
    Journal of Americal Chemical Society, 130 (2008), 3250-3251.
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    Will be affected by presence of blackhole. Soon or later such kind ev=
ent might become realistic and China should be the first to work on it.=20
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    However there is now experimental data to paramatrize such systems, e=
specialy not under newtonian law.  A difficult with black holes is to int=
epretate experiments results, as there are  no distinction between blackh=
ole of mater or anti-matter.
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    First one thing:
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    For proper solvent, currently me and my professor applied for grant f=
or start working on the 'silent ether' forcefield, if interested you can =
contact us off list.  Although many people claim silent ether is not a re=
alistic model, we will only use it as an emperical solvator to avoid comp=
licated fysical effects.
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    Second one next thing:
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    For box to minimize the ammount of silent ether I think the best choi=
ce can be found here:
    Henk Bekker, Jur P. van den Berg, TSJERK A. WASSENAAR: Constructing a=
 Near-Minimal-Volume Computational Box for Molecular Dynamics Simulations=
 with Periodic Boundary Conditions. International Conference on Computati=
onal Science 2003: 70-79
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    Thrid one more next thing:
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    For force field of black holes you should consider chose poper densit=
y, mass and  Schwarz-schild radius.
    But make sure mass stays in withinTolman-Oppenheimer-Volkoff limit.
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    Fourth one final last thing:
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   >Could two black wholes see each other if box too small?
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    Shuch problem only occurs when using PME (threating "no hair" theorem=
).=20
    For pressure virial law should still hold, with minor relativistic co=
rrections.
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    Other important next thing after last thing:
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    Don't remove angular momentum each step,  as they form together with =
its mass an important classification for black hole. The silent ether add=
ed will prevent flying ice cube problems.
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    For temperature be carefull to use older gromacs version (3.3), as th=
e underestimate the proper temperature ensemble in system !!!!!!
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    Good luck,
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    greetings
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    Jiang,
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    =20
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    roger han wrote:
   > Dear mister gromacs
   >
   > My professor interested in black wholes. How can I put a particle in=
 a box and set mass to infinity? Which solvent is best choice and could t=
here be problems with pressure? I'm also not sure about periodic boundari=
es. Could two black wholes see each other if box too small?
   >
   > Many thanks
   >
   > Ben
    =20
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