param1.cho for MD?
jiang at LAPLACE.CSB.YALE.EDU
Thu Sep 28 16:04:15 EST 1995
The files "param1.cho" and "toph1.cho" are replaced
by "param3.cho" and "toph3.cho". The later replacement
would be compatable with Engh and Huber's force constants
("parhcsdx.pro" and "tophcsdx.pro" ). The latest files can be
found at our X-PLOR WWW page "http://xplor.csb.yale.edu",
and look at "tutorial/toppar" directory.
Are these parameters "good" enough for both crystallographic
refinement and molecular dynamics without experimental data?
I am not quite sure. You would better confirm this with the author,
Bill Weis (weis at fucose.standford.edu).
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