[gmx-users] Relatively orient two molecules: rotation and/ortranslation
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
> (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
> Does anyone have an idea of a freeware to do that?
> Adama Tandia
> Corning INC
> Corning, NY USA
> gmx-users mailing list gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list.
> www interface or send it to
>gmx-users-request at gromacs.org.
> Can't post? Read
More information about the gromacs.org_gmx-users