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gmxmindist-ftraj.xtc-stopol.tpr-odminimal-periodic-distance.xvg-pi 周期性映像之间的最小距离多大, 何时出现? 在你的模拟过程中, 用于长程非键作用的截断距离是多少? 根据这一距离, 两个周期性映像之间允许的最近距离多大? 当最小距离小于截断距离时, 哪一非键能量项受影响最大, 为什么? 如果最小距离小...
2）利用gmx rdf 命令，40个分子B组成的团簇，如果计算其B分子上的某个原子C相对于团簇质心的rdf如何弄...
在出现了如下提示时，我就无法进行下去了。提示信息：Available static index groups:Group 0 "System"...
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GMX对锁定账号的答..我注册了GMX邮箱不到一小时账号就被锁定,发去邮件,得到的答复如下: Hello ,As part of our security system, we regularly monitor activ
Update issue-template.md Apr 28, 2023 admin Activate SYCL build on CI Oct 8, 2020 api NBlibTest/IntegratorWorks: Initialize x's and v's Oct 8, 2020 ci_scripts Add CMake 3.17 to Travis-CI build. Apr 15, 2020 cmake Merge remote-tracking branch 'gromacs/master' into gromacs2021b1 ...
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