From: Nicholas M Glykos (glykos_at_mbg.duth.gr)
Date: Tue Jul 05 2011 - 13:35:43 CDT
> Next, I am trying to calculate the distance between two atoms along the
> trajectory(in different frame). Does anyone have a tcl script to share that
> will be using bigdcd.
Not meaning to hijack the thread, but wouldn't
carma -v -atmid ALLID -dist 40 100 my.dcd my.psf
be a simple enough solution for calculating the distance between atoms
with indeces 40 and 100 as given in 'my.psf' ?
Again apologies for the troll,
Nicholas
--
Dr Nicholas M. Glykos, Department of Molecular Biology
and Genetics, Democritus University of Thrace, University Campus,
Dragana, 68100 Alexandroupolis, Greece, Tel/Fax (office) +302551030620,
Ext.77620, Tel (lab) +302551030615, http://utopia.duth.gr/~glykos/
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