2018 bertsioa. GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.<\/p>\n
It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers.<\/p>\n
send_gmx<\/p>\n
GROMACS lanak kolara bidalzeko Ohiko pbs script bat sortu eta hau ere bidlai daiteke gero kolara. remote_vi\u00a0 erabiliz md.log<\/tt> fitxeroa ikutsiko dugu.<\/p>\n http:\/\/www.gromacs.org\/About_Gromacs<\/a><\/p>\n","protected":false},"excerpt":{"rendered":" Informazio orokorra 2018 bertsioa. GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast … Seguir leyendo GROMACS<\/span> send_gmx<\/code> tresna sortu dugu. Egikaritzerakona, aginduaren laguntza erakusten da. Erabiltzeko modua:<\/p>\nsend_gmx ``JOB and Options'' NODES PROCS_PER_NODE TIME MEM [``Other queue options'' ]<\/pre>\n
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\n ``JOB and Options'':<\/tt><\/td>\n Kalkuluaren opzioak eta inputaren izena (extensioarekin). Oso garrantzitsua da komilla arten jartzea.<\/td>\n<\/tr>\n \n NODES:<\/tt><\/td>\n Nodo kopurua.<\/td>\n<\/tr>\n \n PROCS:<\/tt><\/td>\n Prozesagailu kopurua.<\/td>\n<\/tr>\n \n TIME:<\/tt><\/td>\n kolari eskatutako denbora hh:mm:ss.<\/tt> formatuan<\/td>\n<\/tr>\n \n MEM:<\/tt><\/td>\n memoria en Gb-etan.<\/td>\n<\/tr>\n \n [``Torque beste aukerak'' ]<\/tt><\/td>\n kola sistemari agindu gehiago pasatzeko modua.
\nIkus beheko adibideak[intlink id=\u00bb632″ type=\u00bbpost\u00bb]. informazio gehiago[\/intlink]<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\nAdibideak<\/h3>\n
send_gmx ``-s job1.tpr'' 1 4 04:00:00 1\r\n\r\nsend_gmx ``-s job2.tpr'' 2 8 192:00:00 8 ``-W depend=afterany:1234''\r\n\r\nsend_gmx ``-s job.tpr'' 1 8 200:00:00 2 ``-m be -M mi.email@ehu.es''<\/pre>\n
send_gmx<\/code> erabili dezakezue adibide bat sortzeko.<\/p>\nKalkuluen monitorizazioa<\/h2>\n
Informazio gehiago<\/h2>\n