Re: vmd-l: Re: dcd files generated with catdcd

From: Giovanni (
Date: Fri Apr 30 2004 - 13:08:33 CDT

thanks a lot, but the real problem is when I try to get rid of the water
using an index file.
the coordinates of my protein without water are not the same as in the
original file.
Maybe there is something wrong in my index file ...
I generate it using awk and reading the pdb file and I obtain a column
with the numbers of the atoms that I want in the new dcd.

Giovanni Bellesia
Theory and Computation Group
Department of Chemistry
University College Dublin
Belfield, Dublin 4, Ireland

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