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· 忙活了两天安装了schrodinger maestro 2021. 2 linux x64版本。desmond 运行了34万原子的体系，10a cut off，其他都是缺省。速 … · 使用desmond模拟蛋白后，想对其构象变化进行分析绘制一张自由能面热图。是需要将轨迹的每一帧取出，提取c-alpha笛卡尔坐标，后续根据 … · 请问哈谁知道desmond_maestro windows学术版本在哪里下载？谢谢,计算化学公社 · 论坛首页 理论与计算化学 (theoretical and computational chemistry) 分子模拟 (molecular modeling) gromacs中伞型采样算法 … · 如题，gmx好处是可以选择amber力场，小分子和蛋白可以选择不同力场，跑的不满意还可以继续追加续跑；desmond学术版只能用opls力场， …
Web165/180 simplified is 11/12, representing fraction in lowest terms is a better way than its original form, to easily recognize the fraction or use in mathematical operations.
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