average MD structures
Hi,
we would like to create average structures from MD trajectories using
internal coordinates rather than averaging over Cartesian coordinates.
Does anyone know of any program that can do this for us? We use the common
dcd trajectory format.
Best regards
Isabella
-----------------------------------------------------------------------
Isabella Feierberg
Dep. of Cell and Molecular Biology
Uppsala University, Biomedical Center
Box 596, S-751 24 UPPSALA, Sweden
tel: +46 - 18 - 471 50 56
fax: +46 - 18 - 53 69 71
http://xray.bmc.uu.se/~aqwww
-----------------------------------------------------------------------