Re: bigdcd file help

From: Nicholas M Glykos (
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,

          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,

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:57:24 CST