Closed franklhy closed 3 months ago
(1) Add the modified funnel method, which allows restraining a chain end atom within the funnel geometry. This should facilitate the threading of the long tail through the gamma-CD. (2) Add new CV: radius of gyration.
(1) Add the modified funnel method, which allows restraining a chain end atom within the funnel geometry. This should facilitate the threading of the long tail through the gamma-CD. (2) Add new CV: radius of gyration.