Research data supporting "Energy landscapes of a hairpin peptide including NMR chemical shift restraints"
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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
创建时间：
2021-04-30
