模拟之家-SimuHome - 模拟报错 https://simuhome.cn/forum-2-1.html Latest 20 threads of 模拟报错 Copyright(C) 模拟之家-SimuHome Discuz! Board by Comsenz Inc. Wed, 20 May 2026 22:08:38 +0000 60 https://simuhome.cn/static/image/common/logo_88_31.gif 模拟之家-SimuHome https://simuhome.cn/ 在用 GAFF 力场模拟电解液时，Li⁺和 FSI⁻会发生明显聚集，不能均匀分布在 DME 里， https://simuhome.cn/thread-149-1-1.html 模拟报错 kuaij Thu, 30 Apr 2026 02:12:04 +0000 用 CHARMM-GUI 搭建的纯 DPPC 脂质双分子层，在能量最小化阶段出现极大作用力.。。。 https://simuhome.cn/thread-143-1-1.html 模拟报错 lucks Mon, 27 Apr 2026 02:21:43 +0000 运行mdrun提示condition:stat=cudasuccess如何解决 https://simuhome.cn/thread-133-1-1.html 模拟报错 accs Fri, 17 Apr 2026 02:35:34 +0000 我用 gmx hbond 分析氢键数量时，得到的平均氢键数异常，求助？ https://simuhome.cn/thread-119-1-1.html 模拟报错 moou Mon, 30 Mar 2026 02:34:08 +0000 老师我在进行npt平衡时出现了这个问题请问是什么原因呢 https://simuhome.cn/thread-118-1-1.html 模拟报错 114511 Mon, 30 Mar 2026 01:17:38 +0000 模拟报错 https://simuhome.cn/thread-108-1-1.html 模拟报错 糯米糖葫芦 Thu, 19 Mar 2026 07:22:01 +0000 用 GROMACS 计算 Zn²⁺ 与小分子氧原子的 RDF，结果如何判断是否合理？ https://simuhome.cn/thread-104-1-1.html 模拟报错 luxiaot Wed, 18 Mar 2026 06:46:01 +0000 配置GPU加速时失败，提示CUDA架构不支持或版本不匹配 https://simuhome.cn/thread-65-1-1.html 模拟报错 xiaopacai Tue, 10 Mar 2026 06:25:09 +0000 安装后无法运行 gmx 命令。请问大家应该如何解决呢？ https://simuhome.cn/thread-64-1-1.html 模拟报错 xiaopacai Tue, 10 Mar 2026 06:24:48 +0000 运行gromacs时候出现下面错误：There are probably atoms missing earlier in the pdb https://simuhome.cn/thread-63-1-1.html 模拟报错 xiaopacai Tue, 10 Mar 2026 06:24:30 +0000 错误：Invalid order for directive \'xxx\' https://simuhome.cn/thread-62-1-1.html 模拟报错 xiaopacai Tue, 10 Mar 2026 06:24:10 +0000 Fatal error: number of coordinates in coordinate file (xx.gro, N) does not match https://simuhome.cn/thread-61-1-1.html 模拟报错 xiaopacai Tue, 10 Mar 2026 06:23:51 +0000 运行gromacs时候出现下面错误：Atom index n in position_restraints out of bounds https://simuhome.cn/thread-56-1-1.html 模拟报错 18380446913 Tue, 10 Mar 2026 06:19:38 +0000 错误：Only triclinic boxes with the first vector parallel to the x-axis and the https://simuhome.cn/thread-55-1-1.html 模拟报错 18380446913 Tue, 10 Mar 2026 06:19:11 +0000 运行gromacs时候出现下面错误：Cannot allocate memory https://simuhome.cn/thread-54-1-1.html 模拟报错 18380446913 Tue, 10 Mar 2026 06:18:53 +0000 错误：Fatal error: The total potential energy is nan/inf https://simuhome.cn/thread-50-1-1.html 模拟报错 dongji Tue, 10 Mar 2026 06:15:03 +0000 错误：Step X: Some atoms have moved too far 或 LINCS WARNING: relative coordinat https://simuhome.cn/thread-48-1-1.html 模拟报错 dongji Tue, 10 Mar 2026 06:14:39 +0000 错误：Segmentation fault (core dumped) https://simuhome.cn/thread-47-1-1.html 模拟报错 dongji Tue, 10 Mar 2026 06:13:53 +0000