[gmx-users] Problems with GROMPP

David van der Spoel spoel at xray.bmc.uu.se
Fri Jan 11 11:16:01 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.
error in your topology file.
chapter 5 in the manual.

> Thanks for you help
> Jens 
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David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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