Research data supporting "Energy landscapes of a hairpin peptide including NMR chemical shift restraints"
收藏DataCite Commons2021-04-30 更新2024-08-25 收录
下载链接：
https://www.repository.cam.ac.uk/handle/1810/248890
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资源简介：
In the top-level directory, there are two input files for CHARMM: (1) orderparams.inp -> to calculate quantities for a given structure used to obtain the structural order parameters (2) charmm_md.inp -> to run molecular dynamics simulations in two parts: an initial heating phase (commands commented out) and a constant-temperature production phase
提供机构：
Apollo - University of Cambridge Repository
创建时间：
2021-04-30
