[gmx-users] suggestion for mk_angndx

Dallas Warren dallas.warren at vcp.monash.edu.au
Thu Sep 2 07:37:37 CEST 2004

As a suggestions, may be change mk_angndx to be more like make_ndx where 
you can use the -n and -o switches.  I am following the dihedrals in a 
particular molecule type in my simulation, so to generate the appropriate 
dihedral index need to change the tpr file using tpbconv and select it to 
output the file for the molecule in interest then use mk_angndx.  No idea 
on how these things are working under the hood etc, just thought I might 
suggest it.

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 9083
When the only tool you own is a hammer, every problem begins to resemble a nail.
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