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模拟报错 今日: 0|主题: 52|排名: 1 

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用 GROMACS 计算 Zn²⁺ 与小分子氧原子的 RDF,结果如何判断是否合理? 新人帖 luxiaot 2026-3-18 1405 lauthirteen 2026-3-19 10:07
配置GPU加速时失败,提示CUDA架构不支持或版本不匹配 xiaopacai 2026-3-10 1390 lauthirteen 2026-3-10 14:31
安装后无法运行 gmx 命令。请问大家应该如何解决呢? xiaopacai 2026-3-10 1325 lauthirteen 2026-3-10 14:31
运行gromacs时候出现下面错误:There are probably atoms missing earlier in the pdb xiaopacai 2026-3-10 1312 lauthirteen 2026-3-10 14:31
错误:Invalid order for directive 'xxx' xiaopacai 2026-3-10 1254 lauthirteen 2026-3-10 14:30
Fatal error: number of coordinates in coordinate file (xx.gro, N) does not match 新人帖 xiaopacai 2026-3-10 1356 lauthirteen 2026-3-10 14:30
运行gromacs时候出现下面错误:Atom index n in position_restraints out of bounds 18380446913 2026-3-10 1358 lauthirteen 2026-3-10 14:29
错误:Only triclinic boxes with the first vector parallel to the x-axis and the 18380446913 2026-3-10 1403 lauthirteen 2026-3-10 14:29
运行gromacs时候出现下面错误:Cannot allocate memory 新人帖 18380446913 2026-3-10 1246 lauthirteen 2026-3-10 14:29
错误:Fatal error: The total potential energy is nan/inf dongji 2026-3-10 1313 lauthirteen 2026-3-10 14:28
错误:Step X: Some atoms have moved too far 或 LINCS WARNING: relative coordinat dongji 2026-3-10 1281 lauthirteen 2026-3-10 14:28
错误:Segmentation fault (core dumped) 新人帖 dongji 2026-3-10 1337 lauthirteen 2026-3-10 14:27
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