标题: 求助植酸和壳聚糖在水溶液下，压缩的时候出现问题 [打印本页] 作者Author: jisuan666888 时间: 2024-7-29 10:42 标题: 求助植酸和壳聚糖在水溶液下，压缩的时候出现问题 植酸和壳聚糖在水溶液下，压缩生成gro的时候出现以下问题，自己尝试了很久也没解决，麻烦帮忙解答下（相关文件我上传附件）：
WARNING: Listed nonbonded interaction between particles 11060 and 11148
at distance 3.495 which is larger than the table limit 2.000 nm.
This is likely either a 1,4 interaction, or a listed interaction inside
a smaller molecule you are decoupling during a free energy calculation.
Since interactions at distances beyond the table cannot be computed,
they are skipped until they are inside the table limit again. You will
only see this message once, even if it occurs for several interactions.
IMPORTANT: This should not happen in a stable simulation, so there is
probably something wrong with your system. Only change the table-extension
distance in the mdp file if you are really sure that is the reason.