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- Mon Feb 01, 2021 10:02 am
- Forum: General forum
- Topic: Loading MD trajectory with mdload
- Replies: 1
- Views: 2054
Loading MD trajectory with mdload
Hi, I want to try out cardamom to simulate an EPR spectrum from an MD simulation. However when using mdload() I get an error TrajFile = 'T0EZ.DCD'; TopFile = 'topol.psf'; Info.ResName = 'AS8'; Info.SegName = 'MAIN'; Info.LabelName = 'TOAC'; MD = mdload(TrajFile,TopFile,Info); Using default atom name...