VMD-L Mailing List

From: Krishnan, Marimuthu (krishnanm_at_ornl.gov)
Date: Tue Mar 25 2008 - 22:44:40 CDT

Hello,
 
I would like to calculate reorientational time correlation function (second order Legendre polynomial form) of a bond vector (say, connecting atoms A and B). Is there a tcl script available for this purpose? I have written a fortran90 code for this but I have a feeling that vmd/tcl script can be efficient than my code! Since I am a newbie with VMD, I would appreciate if someone could help me in this. Thanks.
 
cheers,
Krishnan
 
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Marimuthu Krishnan
Center for Molecular Biophysics,
Oak Ridge National Laboratory,
PO Box 2008 MS6164,
Oak Ridge, TN 37831-6164,
Tel : 001-865-574-6123
Fax : 001-865-576-7651
E-mail : krishnanm_at_ornl.gov

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