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hplc303

金虫 (小有名气)

[求助] Plumed 软件

怎样编译PLUMED和dl_poly 一起使用。它是是基于分子动力学的自由能计算插件,和GROMACS (4.0.7 - 4.5.5)
NAMD (2.6 - 2.7 - 2.8)
DLPOLY (2.20)
AMBER (10.0 - 11.0; sander module only)
ACEMD (1.2)
都可以兼容使用.
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11B329

金虫 (正式写手)

amber14
gromacs-2016-5
gromacs-2018-3
gromacs-4-5-7
gromacs-5-1-4
lammps-6Apr13
namd-2-8
namd-2-9
qespresso-5-0-2
qespresso-6-2
好像没有DL_POLY。。。
往前走吧!
2楼2018-10-09 18:51:45
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