[gmx-users] Problems with GROMPP

Mark Abraham Mark.Abraham at anu.edu.au
Fri Jan 11 11:29:18 CET 2008

Jens Pohl wrote:
> Hello!
> I've tried to run GROMPP with a protein, following the flow-chart. Everything is working fine until I try to run the GROMPP program with the *.gro and *.top files I got from GENBOX (spc-water, cubic box, mdp like in the manual). The error is different numbers of coordinates in the two files. What to do??? I re-run the whole cascade several times, everytime ending up with this error.

So what are the numbers involved, and of what are they indicative?


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