[gmx-users] fatal error in grompp
roshanak starlight
starlight.r77 at gmail.com
Fri Jul 1 15:14:38 CEST 2016
Hello
I'm trying to simulate the kalp-15 in dppc from gromacs Tutorial by gromacs-
4.5.5. When I run grompp with this command : grompp -f minim.mdp -c
dppc128.gro -p topol_dppc.top -o em.tpr
I face whith this error:
Fatal error:
Syntax error - File ffnonbonded.itp, line 1
Last line read:
'[ atomtypes ]'
Invalid order for directive atomtypes
what is the reason ?
And an else question :is it necessary that i chang oplsaa force fileld and
chang in lipid.itp ?
whit these descriptions:
http://lists.gromacs.org/pipermail/gromacs.org_gmx-users/2006-May/021416.html
http://lists.gromacs.org/pipermail/gromacs.org_gmx-users/2006-August/023587.html
http://lists.gromacs.org/pipermail/gromacs.org_gmx-users/2006-September/023761.html
I dont do it .could that fatal error is this?
pleas guide me .thank you
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