[gmx-users] Relatively orient two molecules: rotation and/ortranslation

X.Periole X.Periole at rug.nl
Sat Apr 29 08:25:05 CEST 2006

On Sat, 29 Apr 2006 01:56:34 -0400
  "Tandia, Adama" <TandiaA at Corning.com> wrote:
> Dear Gromacs Users,
> I'm looking for an easy way to relatively orient two 
>large molecules
> (many rings with long CnH2n+1 tails): keep one fixed and 
> and/or rotate the second one with respect to a given 
>direction. The idea
> behind would be to fill up then the box with a solvent 
>and run a
> position restrained MD.

You can wrie a simple script or programm that would
translate/rotate one of your molecule ... or use a 
programmm (Rasmol, VMD) and tell to treanslate, rotate
according to your need. This is trivial opration of any
visaulization program.

> Does anyone have an idea of a freeware to do that?
> Regards,
> Adama
> Adama Tandia
> Corning INC
> Corning, NY USA
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