It should be readable by a suitable Fortran code, even if it is stored unformatted. Check the manual for the WriteMDHistory flag: http://www.icmab.es/siesta/manuales/manual-3.0-b/node83.html#3035 and also the Util folder for possible utilities to read and convert the MD files to other formats, as well as for extracting information from it. In particular, check Util/Contrib/APostnikov for his utility for extracting information from the MD files.
Marcos On Mon, Oct 24, 2011 at 9:11 AM, Surjeet Chandel <[email protected]>wrote: > dear siesta users, > I am doing molecular dynamics in liquids.After simulation i got .MD > file.Positions and velocities are lying in this file.This file is not > readable.I need these values for each time step for the calculation of > g(r).Kindly help me. > Best regards > surjeet Chandel > HPU Shimla >
