[gmx-users] assigning two ligand in gromacs with amber99sb force filed

SAKO MIRZAIE sako.biochem at gmail.com
Mon Aug 3 14:50:26 CEST 2015

Dear all,

I just trying to add two itp files including  "NADP.itp" and
"ligand.itp" in my topology file by add #include "NADP.itp"
#include "ligand.itp" after force filed amber99sb. but the following
error appears:

' [ atomtypes ]'
invalid order for directive atomtypes
when I delete the #include "ligand.itp" from topology file. it works
without any error. how can I assign two groups with simple command
"#include" in topology file.

best regards,

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