[gmx-users] g_angle (Problem in Dihedral Angles)
alokjain at iitk.ac.in
Tue Dec 14 06:23:37 CET 2004
I want my values in the range of 180 to -180 or 0 to
360.So how can i achieve that?? U have said that "periodicity is taken
out" ..So how can i reinclude that.
>On Tue, 2004-12-14 at 00:32 +0530, Alok wrote:
>>Hello Gmx Usrs,
>> I am calculating the Dihedral angle (chi1
>>&chi 2)for a residue in my protein using the program g_angle. I was
>>thinking that dihedral angle should be in the range -180 to +180 or 0
>>to 360 degree . But i am getting values which are mixed up of these two
>>range like -185 degree or sometimes negative and positive values both
>>... can any one suggest me where is the problem? if i am doing anything
>>i used g_angle -f ***.xtc -s ***.tpr -n ***.ndx
>>-od -ov -type dihedral command.
>check what they look like as a function of time. it may be that the
>periodicity is taken out, in which case they should be continuous.
>> thanks in advance
>> Alok Jain
>>gmx-users mailing list
>>gmx-users at gromacs.org
>>Please don't post (un)subscribe requests to the list. Use the
>>www interface or send it to gmx-users-request at gromacs.org.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users