Re: Writing an output file into pdb format in a simulation.

From: Nicholas M Glykos (
Date: Fri Jun 01 2012 - 02:18:01 CDT

> I am in need to write an output file in pdb format at the stage of
> simulation in progress.

catdcd4 -o selected_frame.dcd -first 20040 -last 20040 now_running.dcd

and then use vmd to convert selected_frame.dcd to pdb format.

Or, if you have carma installed (and a PSF file) :

carma -v -pdb -atmid ALLID -first 20040 -last 20040 now_running.dcd my.psf

            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 : Tue Dec 31 2013 - 23:22:03 CST