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[交流]
直链淀粉在amber升温阶段出现问题？
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想请教各位前辈，我跑的是单独的直链淀粉，在能量最小化时没有出现问题，但是将.prmtop文件和.rst文件用于升温时出现了下面的错误，想请教各位大佬这该怎么解决呢？ 5. REFERENCE ATOM COORDINATES defa ----- READING GROUP 1; TITLE: 10.0 rfree: Error decoding variable 1 3 from: End this indicates that your input contains incorrect information field 1 was supposed to have a (1=character, 2=integer, 3=decimal) value |
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