[gmx-users] dihedral restraints wiki section

Chris Neale chris.neale at utoronto.ca
Wed Jan 30 00:20:32 CET 2008

>Ofcourse I'm worth your and others time since I reffered to some text and gromacs manuals as you and xavier suggest to me and 
>I'm very appreciated. But I didn't give any clue. After all I try to be more precise about the replies.

The best way to return the favour is to post a message back to the list detailing what happened when you attempted their suggestion.
Replies such as "your suggestion didn't work" are not helpful. It would be much more useful to say "I tried g_angle by using the 
following command: (list exact command) but it produced X when what I want is Y."

Perhaps the gromacs wiki could benefit from a page outlining some tips for using the mailing list.

>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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