Re: R: restart file

From: Nicholas M Glykos (
Date: Sat Feb 25 2012 - 09:38:27 CST

> you have to specify the last timestep written in the dcd file.

You have to specify the timestep at which the restart files you are
using were saved (which depends on the value of restartfreq). The frames
written in the DCD _after_ the restart should be thrown away (at the
DCD merging step).

            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 - 23:21:41 CST