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arbd
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d15a61be
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d15a61be
authored
5 years ago
by
cmaffeo2
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Updated README
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/==========================================================\
/==========================================================\
| Atomic Resolution Brownian Dynamics (ARBD) - beta
Jan
1
8
|
| Atomic Resolution Brownian Dynamics (ARBD) - beta
Oct
1
9
|
\==========================================================/
\==========================================================/
Brownian dynamics (BD) simulation is method for studying biomolecules, ions, and
Brownian dynamics (BD) simulation is method for studying biomolecules, ions, and
...
@@ -96,18 +96,8 @@ Terrance Howard
...
@@ -96,18 +96,8 @@ Terrance Howard
| Outstanding issues |
| Outstanding issues |
\====================/
\====================/
-- Features disabled during port to GPUs --
* Energy calculations are currently disabled
* Constant chemical potential simulations
-- Not implemented --
-- Not implemented --
* Periodic boundaries are not handled by rigid body objects, so
simulations using these should only be performed for effectively
infinite systems
* There are no checks to ensure that pairlists are recalculated before
* There are no checks to ensure that pairlists are recalculated before
particles further than the pairlist distance move to within the
particles further than the pairlist distance move to within the
cutoff
cutoff
...
...
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