[gmx-users] g_sdf

[Dallas B. Warren]

That is entirely up to you.

The forth paragraph in the help explains how the three atoms in the
index are used to generate the coordinate system.

Best idea with anything like this, have a play, see what comes out, see
if it is what you want, then try again.  Play with it like that will
also help get further understanding of what is going on.

Catch ya,

Dr. Dallas Warren
Department of Pharmaceutical Biology and Pharmacology
Pharmacy and Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at pharm.monash.edu.au
+61 3 9903 9167
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble
a nail.