H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations
作者： R. Anandakrishnan , B. Aguilar , A. V. Onufriev
DOI: 10.1093/NAR/GKS375
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摘要: … The LEAP module also produces AMBER force field parameter and coordinate files for running molecular dynamics simulations using AMBER or NAMD. These files can optionally …
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