[gmx-users] Dihedral restraints

Mark Abraham Mark.Abraham at anu.edu.au
Tue Jan 29 23:17:20 CET 2008

Behnoush Zare wrote:
> Dear chris, 
> According to your note about dihedral restraints, how I can calculate the torsional angles of the helix backbone. I performed it     using Deepview but it took long time. I think there should be more feasible one.


So far your use of "measure" and "calculate" with regard to dihedral 
angles has been vague. I can't tell if you're trying to determine what 
these angles should be restrained to, determine what they are in your 
starting structure, or something else. Either way, the calculation is 

You should also have the courtesy to reply to the two people who've made 
suggestions for you, letting them know whether they've been successful 
in working out what you want. Otherwise, people may notice this and 
decide you're not worth their time :-)


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