[gmx-users] Question on [ angles ] in topology file?

Yang Ye leafyoung at yahoo.com
Fri May 4 19:42:37 CEST 2007


Try angle restraints.

Regards,
Yang Ye

Chze Ling Wee wrote:
> Hi GMX users -
>
> In the [ angles ] section of the topology file for a protein, is there 
> a minimum or maximum angle value that can be specified i.e.
>
> [ angles ]
> ;  i     j    k     funct   angle  force.c.
> 1  2  3  1    x  250
>
> Is there a range of values x can take? Can x be negative?
>
> Are x = -90 and x = 270 equivalent?
>
> Cheers
> Chze Ling Wee
>
>
> ------------------------------------------------------------------------
>
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
-------------- next part --------------
A non-text attachment was scrubbed...
Name: leafyoung.vcf
Type: text/x-vcard
Size: 111 bytes
Desc: not available
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20070505/d347ad85/attachment.vcf>


More information about the gromacs.org_gmx-users mailing list