[gmx-users] Reordering of water molecules with Na+ ions coordinates in xtc file

leila karami karami.leila1 at gmail.com
Sat Jan 1 09:50:29 CET 2011


Dear Chris

Happy new year
thanks for your reply.

please clarify these more:

cd src/tools
cp gmx_trjconv.c ../../exec/share/gromacs/template/my_tool.c

1) where is exact location of gmx_trjconv.c file?

when I enter cd /src, in src directory, there is not tools directory.

2) in my linux, gromacs path is as follows:

/usr/local/gromacs/share/gromacs/template

in template directory, there is only template.c file (containing 135 lines)
and not my_tool.c file.

which file should be copied? (gmx_trjconv.c or my_tool.c)
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