Re: [gmx-users] trjorder does not write trajectory file

> Dmytro Kovalskyy wrote: >>> It works fine for me under 3.3.1 - what command line are you issuing? >> trjorder -f traj.xtc -s topol.tpr -o 5A -nshell 5A -r 0.5 Thanks, this work for me. However, It is not obvious from the help. An output trajectory is not defined as Option and i supposed it is wri

Re: [gmx-users] trjorder does not write trajectory file

Dmytro Kovalskyy wrote: It works fine for me under 3.3.1 - what command line are you issuing? trjorder -f traj.xtc -s topol.tpr -o 5A -nshell 5A -r 0.5 Reading the source, both -nshell and -r enforce no trajectory output. Mark ___ gmx-users mailing

Re: [gmx-users] trjorder does not write trajectory file

Use the -na and -da flags. trjorder doesn't know how to order the molecules without these. -Justin > Quoting Dmytro Kovalskyy <[EMAIL PROTECTED]>: > > > > It works fine for me under 3.3.1 - what command line are you issuing? > > trjorder -f traj.xtc -s topol.tpr -o 5A -nshell 5A -r 0.5 > > > > >

Re: [gmx-users] trjorder does not write trajectory file

> It works fine for me under 3.3.1 - what command line are you issuing? trjorder -f traj.xtc -s topol.tpr -o 5A -nshell 5A -r 0.5 > > -Justin > > Quoting Dmytro Kovalskyy <[EMAIL PROTECTED]>: > >> >> Trjorder does not write trajectory file, only nshell.xvg >> >> This is true for 3.3.2 and 3.3.1 ve

Re: [gmx-users] trjorder does not write trajectory file

It works fine for me under 3.3.1 - what command line are you issuing? -Justin Quoting Dmytro Kovalskyy <[EMAIL PROTECTED]>: > > Trjorder does not write trajectory file, only nshell.xvg > > This is true for 3.3.2 and 3.3.1 versions. > > Dima > > > ___

[gmx-users] trjorder does not write trajectory file

Trjorder does not write trajectory file, only nshell.xvg This is true for 3.3.2 and 3.3.1 versions. Dima ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gr