[gmx-users] tool.top does not found

drugdesign drugdesign at yandex.ru
Sun Mar 1 15:07:25 CET 2009


Dear GROMACS users,
I am trying to perform thу tutorial listed below with amber03 force field, but I get an error
about tool.top while running grompp with em.mdp
What can cause such a problem?
Best regards,
Andrew

https://extras.csc.fi/chem/courses/gmx2007/tutorial1/tutorial1.pdf 

This is a command line:

andrew at linux-f29d:~/GROMACS_MD/1LYD> grompp -f em.mdp -p tool.top -c solvated.gro -o em.tpr

checking input for internal consistency...

-------------------------------------------------------
Program grompp, VERSION 4.0.2
Source code file: grompp.c, line: 810

Fatal error:
tool.top does not exist
-------------------------------------------------------

"Baseball Heroes Only" (P.J. Harvey)






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