[gmx-users] A problem with grompp
Mark.Abraham at anu.edu.au
Fri Dec 15 23:57:55 CET 2006
Ken Rotondi wrote:
> These problems are typically due to grompp not finding cpp (make sure
> it's in your path) or having opened the top file in some non-linux text
> editor. Open the top file in vi and see if you see '*M^*' where you
> would expect line breaks. If so your top file is polluted. To change
> from mac line breaks to unix use:
> tr '\015' '\012' <bad.top> fixed.top
> Where '\015' is the mac line break and '\012' is the unix. If it's a
> windows prob. you'll have to google for the windows line break code.
> I have had occasions where the above did not fix the solution, very
> frustrating. If nether of the above fix the problem just re-create your
> .mdp file in vi, this always fixes this problem.
On recent Linux platforms, you can use dos2unix and unix2dos to do those
conversions in-place. No idea about Mac.
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