[MMTK] Two proteins in a universe

vanitha@cs.wisc.edu vanitha at cs.wisc.edu
Thu Feb 23 16:58:04 CET 2006


Hi All:
If I add two proteins to a universe, can I get the configurations and the
gradients of the two separately and update them separately if required? My
goal is to miminize the energy of the complex in a space other than the
cartesian co-ordinates. Can I eventually write the complex out to a single
PDB file?

Thanks,

- Vanitha




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