[gmx-users] g_select dynamic indices
yao0o at ymail.com
Wed Nov 30 22:08:03 CET 2011
I used g_dist to find all water molecules within 5 Angstrom of a protein in a trajectory with a little surprise that gromacs directly prints out those water on my screen rather than in an output file.
Since in each frame, those water molecules are not the same, I realize I need to make a dynamic index or indices for them.
However I do not see any flag I could possibly introduce those water in g_select and then use -on flag to produce a dynamic index.
Anyone has met this before?
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users