2025/04/07 21:58:31
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NAMD后处理数据相关请教
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zhangyunzhen
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老师好，我在学习NAMD计算，正在跑教程中的算例，目前已计算完毕job=NAMD，生成OUT.NAMD这一步如何进行？直接输入read_outNAMD.x0 150 231 1000 231 无法生成，看教程是需要把这句加到pbs文件中再跑一次才能生成吗？