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MDP参数今日: 0|主题: 35|排名: 4

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	求助：蛋白 - 蛋白复合物真空中能量最小化报错	河空空 2026-3-18	1251	lauthirteen 2026-3-19 10:09
	GROMACS 中退火模拟的完整正确流程是什么？	河空空 2026-3-18	1292	lauthirteen 2026-3-19 10:08
	请问最小化（energy minimization）时出错，如何解决？	wutian1 2026-3-18	1242	lauthirteen 2026-3-19 10:08
	对于 GROMACS 外加电场下的非平衡模拟，是否需要对离子进行控温	Mirage 2026-3-13	1206	lauthirteen 2026-3-13 15:02
	关于PMF中参考组和牵引组的设置	Lisy 2026-3-13	3259	lauthirteen 2026-3-13 12:29
	运行gromacs时候出现下面错误：Group LIG referenced in the .mdp file was not found	hutu8 2026-3-10	1197	lauthirteen 2026-3-10 14:55
	错误：Generating 1-4 interactions: fudge = 1	hutu8 2026-3-10	1192	lauthirteen 2026-3-10 14:55
	运行gromacs时候，设置了energygrps参数之后运行效率变慢	hutu8 2026-3-10	1275	lauthirteen 2026-3-10 14:55
	错误：Unknown left-hand '#energy-grps'	hutu8 2026-3-10	1211	lauthirteen 2026-3-10 14:54
	运行gromacs时候出现下面错误：Missing define in .mdp	hutu8 2026-3-10	1145	lauthirteen 2026-3-10 14:54
	错误：There is no domain decomposition for ...	hutu8 2026-3-10	1157	lauthirteen 2026-3-10 14:53
	能量最小化时出现 Stepsize too small, or no change in energy	hutu8 2026-3-10	1172	lauthirteen 2026-3-10 14:53
	错误：With Verlet lists the optimal nstlist is >= 10	hutu8 2026-3-10	1166	lauthirteen 2026-3-10 14:53
	错误：Group [name] referenced in the .mdp file was not found in the index file	hutu8 2026-3-10	1224	lauthirteen 2026-3-10 14:52
	运行gromacs时候出现下面错误：No '=' to separate .mdp parameter key and value	hutu8 2026-3-10	1159	lauthirteen 2026-3-10 14:52

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