[gmx-developers] Patch: Calculating internal distances in g_polystat

[Janne Blomqvist]

Hello all,

the attached patch (against 4.0.3 src/tools/gmx_polystat.c) adds an 
option to calculate mean square internal distances (see Auhl et al., JCP 
119, 12718) to the g_polystat utility. It would be nice if you'd 
consider adding it to gromacs.

Regards,

-- 
Janne Blomqvist
-------------- next part --------------
A non-text attachment was scrubbed...
Name: polystat.diff
Type: text/x-patch
Size: 3881 bytes
Desc: not available
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20090323/16369154/attachment.bin>