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

Tandia, Adama TandiaA at Corning.com
Sat Apr 29 07:56:34 CEST 2006

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 translate
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.

Does anyone have an idea of a freeware to do that?


Adama Tandia
Corning INC
Corning, NY USA

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