[Amber] 求助sander过程中HEAT阶段在随机步报错Program received signal SIGSEGV: Segmenta...

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发表于 Post on 2025-2-20 21:15:52 | 只看该作者 Only view this author 回帖奖励

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如题，求助各位老师，针对个别蛋白-配体复合物用AMBER22做分子动力学模拟时在HEAT阶段报错

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
#0  0x2b6e96b3b3ff in ???
#1  0x6ae9a7 in ???
#2  0x6b0e16 in ???
#3  0x5c716c in ???
#4  0x67348b in ???
#5  0x62396f in ???
#6  0x619eb7 in ???
#7  0x619f8f in ???
#8  0x2b6e96b27554 in ???
#9  0x409e7c in ???
#10  0xffffffffffffffff in ???

求问该错误的产生原因及解决方法。

heat.in

352 Bytes, 下载次数 Times of downloads: 0

heat.out

160.49 KB, 下载次数 Times of downloads: 0

out

27.63 KB, 下载次数 Times of downloads: 0

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[Amber] 求助sander过程中HEAT阶段在随机步报错Program received signal SIGSEGV: Segmenta...

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