Lara Bunte wrote:
Hi
I used the command
grompp -f em.mdp -p topol.top -c solvated.gro -o em.tpr
and get this errors:
ERROR 1 [file flavin.rtp, line 1]:
Invalid directive bondedtypes
ERROR 2 [file flavin.rtp, line 7]:
Not enough parameters
I know where this error occurs from but I don't know what is false. Could you please take a look on my files, see appendix.
grompp should never read .rtp files, so somewhere in your files you're likely
trying to #include it or otherwise invoke it. There is no indication of this in
your topology, so we can't tell where the error is.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists