[gmx-users] Problems with GROMPP

Jens Pohl Pohl.Jens at web.de
Fri Jan 11 10:47:24 CET 2008


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.

Thanks for you help
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