On Sat, 29 Apr 2006 01:56:34 -0400
"Tandia, Adama" <[EMAIL PROTECTED]> 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
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.
You can wrie a simple script or programm that would
translate/rotate one of your molecule ... or use a
visualization
programmm (Rasmol, VMD) and tell to treanslate, rotate
according to your need. This is trivial opration of any
visaulization program.
XAvier
Does anyone have an idea of a freeware to do that?
Regards,
Adama
Adama Tandia
Corning INC
Corning, NY USA
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