[gmx-users] what's the math algorithm?

Liu, Liang liu4gre at gmail.com
Thu Nov 17 21:29:27 CET 2011


Dear all,

Assuming I have a some tabulated potentials, table.xvg, tablep.xvg,
table_P_P.xvg, table_P_C.xvg and so on.
Also there are non-zero values in the first column of both table.xvg and
tablep.xvg; while the first column (x), the six column (h(x)) and the last
column (h'(x)) have non-zero numbers.
All other columns have only 0. So what's the math behind it? Thanks.

-- 
Best,
Liang Liu
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20111117/435a7898/attachment.html>


More information about the gromacs.org_gmx-users mailing list