%0 Journal Article %T A PARTIAL FORCE BIAS MONTE CARLO SCHEME AND ITS APPLICATION IN CALCULATING RELATIVE FREE ENERGY
部分力偏倚蒙特卡罗方法和它在计算相对自由能中的应用 %A Ni Xiangshan Shi Xiufan Chen Runsheng %A
倪向善 %A 陈润生 %A 石秀凡 %J 生物物理学报 %D 1993 %I %X A partial force bias scheme is proposed for the Monte Carlo simulation in which the transtation of each molecule's mass center is biased in the direction of force on it , but no bias for rotations. The total efficiency is better than previous schemes. Its application to a calculation of free energy is reported. %K Partial force bias scheme Monte carlo simulation Free energy perturbation
蒙特卡罗模拟 %K 部分力偏倚 %K 自由能 %U http://www.alljournals.cn/get_abstract_url.aspx?pcid=90BA3D13E7F3BC869AC96FB3DA594E3FE34FBF7B8BC0E591&jid=E0C9D9BBED813D6674AC13E942EAC86D&aid=5A67BD9ACD501C3C3D3CB12696F28415&yid=D418FDC97F7C2EBA&vid=9CF7A0430CBB2DFD&iid=0B39A22176CE99FB&sid=F637763636425CAF&eid=C2F76551C0111538&journal_id=1000-6737&journal_name=生物物理学报&referenced_num=0&reference_num=0