A LFoasnMtg-AoTlleegrcomurli,athrSmiDmyfuonlraatmMioinacsssoSifvyCesltoyemmPpaslreaxllel,. Fijany, A.
abstract   bibtex   
In this paper a novel algorithm for solution of constrained equations of motion with application to simulation of molecular dynamics systems is presented. The algorithm enables the solution of equation of motion with an internal coordinates model wherein the high frequency oscillations are freezed by explicit inclusion of hard constraints in the system as well as by clustering of atoms and thus it allows a much larger time step in the toIinnhfteetfhgaorcipsatt,tinimtoehnwai.lsaFsilesogqroturhaeietnmhtmioarlsleticcsuoklimnatsropwseleynxstciateiylemgnoocwrfyitiOthfh(omNrN).mtchHlaaustosswtiaveecrevhslye,iret,vpheaetshraaeallglmebolroaictitnohhmmatpidmauvctaehan-itteiaaovngnedes.
@article{fijany_lfoasnmtg-aotlleegrcomurliathrsmidmyfuonlraatmmioinacsssosifvycesltoyemmppaslreaxllel_nodate,
	title = {A {LFoasnMtg}-{AoTlleegrcomurli},{athrSmiDmyfuonlraatmMioinacsssoSifvyCesltoyemmPpaslreaxllel},},
	abstract = {In this paper a novel algorithm for solution of constrained equations of motion with application to simulation of molecular dynamics systems is presented. The algorithm enables the solution of equation of motion with an internal coordinates model wherein the high frequency oscillations are freezed by explicit inclusion of hard constraints in the system as well as by clustering of atoms and thus it allows a much larger time step in the toIinnhfteetfhgaorcipsatt,tinimtoehnwai.lsaFsilesogqroturhaeietnmhtmioarlsleticcsuoklimnatsropwseleynxstciateiylemgnoocwrfyitiOthfh(omNrN).mtchHlaaustosswtiaveecrevhslye,iret,vpheaetshraaeallglmebolroaictitnohhmmatpidmauvctaehan-itteiaaovngnedes.},
	language = {en},
	author = {Fijany, Amir},
	pages = {13}
}

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