[gmx-users] No such moleculetype DPPE
Poncho Arvayo Zatarain
poncho_8629 at hotmail.com
Mon Aug 31 19:01:03 CEST 2015
Hello: i'm working in a simulation for a DPPC/DPPE membrane and when i use the instruction grompp -f minim.mdp -c dppc-dppe128.pdb -p topol_dppc.top -o em.tp for enrgy minimization, the following error appears: Fatal error: No such moleculetype DPPE, so it appears some warnings like: File ffnonbonded.itp, line 67: Overriding atomtype NUrea.
Could you help me please?
More information about the gromacs.org_gmx-users
mailing list