[gmx-users] GROMACS benchmarks (d.dppc, d.lzm, etc.) with V4.6.1

tuccillo tuccillo at sgi.com
Tue Jul 23 20:12:10 CEST 2013

Hi Folks,

I can't seem to get the GROMACS benchmarks to work with 4.6.1. They work
fine with 4.5.5. Can anyone offer any suggestion? It dies in grompp first
with the following:

Program grompp_mpi, VERSION 4.6.1
Source code file:
line: 293

Fatal error:
Topology include file "spc.itp" not found
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

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