[gmx-users] %exist of hydrogen bonds + No -map specified!
karami.leila1 at gmail.com
Thu Apr 12 13:01:05 CEST 2012
I'm using your script for obtaining %exist of hydrogen bonds.
When I use ./hb.pl structure.pdb -map hbmap.xpm -index hbond.ndx, I
No -map specified!
I noted to points being at the begining of script:
# 1. coordinate file (for atom naming) - MUST be a .pdb file with NO
# 2. hbmap.xpm
# 3. hbond.ndx (modified to contain only the atom numbers in the
[hbonds...] section, nothing else)
How to fix it?
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