[gmx-users] Dihedral restraints
bzare at iums.ac.ir
Wed Jan 30 00:53:17 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.
----- Original Message -----
From: "Mark Abraham" <Mark.Abraham at anu.edu.au>
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Sent: Wednesday, January 30, 2008 1:47:20 AM (GMT+0330) Asia/Tehran
Subject: Re: [gmx-users] Dihedral restraints
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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