[gmx-users] xtc to trr

Xavier Periole x.periole at chem.rug.nl
Wed Aug 25 18:54:30 CEST 2004

Aswin Narain wrote:

>I have an XTC file from which i need to continue a
>simulation.. tpbconv doent accept xtc inputs.. so i
>used trjconv to convert xtc to trr and then fed this
>trr as input to tpbconv.. but it doesnt seem to be
>working.. the program counts the frames but the time
>doesnt move and i am forced to start all over again..
>how do i get over this problem??
Converting xtc to trr will not work as the xtc does not contain
the same information that trr contains, at least the same precision.

The way around is to write the last conformation you got from in xtc
in gro and grompp again using this new conformation. You will loose
precision, but that the only way !!!



   Xavier Periole - Ph.D.

   Dept. of Biophysical Chemistry / MD Group 
   Univ. of Groningen
   Nijenborgh 4
   9747 AG Groningen
   The Netherlands

   Tel: +31-503634329
   Fax: +31-503634800
   email: x.periole at chem.rug.nl
   web-page: http://md.chem.rug.nl/~periole

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