Internal coordinat MD codes
I am looking for information on MD/MM codes that work in internal
(dihedral coordinates) and that calculate analytic gradients (dE/dphi,
where phi is a dihedral), and that also return the total energy. I'd
appreciate any information on code names and availabilities that you
could provide.
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| Richard Judson |
| Center for Computational Engineering, MS 9214 |
| Sandia National Laboratories |
| Livermore, CA 94551-0969 |
| (510)294-1438 |
| (510)294-2234 (FAX) |
| email: rsjuds %-% at %-% ca.sandia.gov |
| |
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