drugdesign wrote:
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:
and...@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
-------------------------------------------------------
tool.top != topol.top; watch for typos!
-Justin
"Baseball Heroes Only" (P.J. Harvey)
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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