[gmx-users] g_angle

Dallas Warren dallas.warren at vcp.monash.edu.au
Mon Nov 11 02:19:08 CET 2002


>The logic in the program seems to be OK. It only works for dihedrals of
>course. Do you not get an output file? It should contain a number
>between 0 and 1 as a fuction of time.

I put in:
         g_angle -f md_a -s md_a -n dihedral -type dihedral -od -of -ot

This generates:

The last file should be generated by the -oh switch.  The file contains 
time vs #.

The table for the command (which appears for every GROMACS command 
executed) summarises that command switches correctly.

Catch ya,

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy
Monash University
381 Royal Parade
Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9076
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