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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？	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	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	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)	dongji 2026-3-10	1337	lauthirteen 2026-3-10 14:27

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