[gmx-users] computing tilt of helix
melicher at cray.dbp.fmph.uniba.sk
Tue Feb 1 19:50:08 CET 2005
I have system composed from lipid membrane, peptide and water and I need to
compute tilt between peptide and Z-axis (or its original position). Well,
maybe the answer will be simple for You, but I cannot find it :(
The second question I have is g_helix produce much more files than is
described in manual and other thinks (so I find it sometimes difficult what
exactly those number says (without study the source code of gromacs)).
Especially I'm interested in pprms.xvg (in which may be, I suppose, the
answer for my 1st question). But those angles, which are in pprms.xvg are
much lower than it suppose to be (by my guess from viewing the pictures of
Or the g_bundle can help me by computing data I need?
Thanks for help.
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