标题: 气相蛋白配体氢键分析出错问题 [打印本页] 作者Author: 961106 时间: 2020-8-1 22:09 标题: 气相蛋白配体氢键分析出错问题 老师您好，我用gmx hbond分析氢键的时候报错Fatal error:Failed to allocate memory for 2380 x 2380 x 2380 grid points, which is larger
than the maximum of 268435455. You are likely either using a box that is too
large (box dimensions are 999.90002441 nm x999.90002441 nm x999.90002441 nm)
or a cutoff (0.34999999 nm) that is too small.
是因为什么呢？
我做的是气相蛋白配体的模拟，盒子边长是999.9nm，是因为盒子太大了嘛，要怎么解决呢，谢谢老师！