[gmx-users] Regarding multiple ligands' topology

Mijiddorj B b.mijiddorj at gmail.com
Fri Nov 8 08:38:48 CET 2019


Dear GMX users,

I would like to use multiple small molecules in the simulation system. The
topology files of the ligands were generated by swissparam. However, grompp
could not recognize the second ligand topology during the preparation of
system and gives following message:
########
'[ atomtypes ]'
Invalid order for directive atomtypes
########

How can overcome this problem?

Best regards,

Mijiddorj


More information about the gromacs.org_gmx-users mailing list