[gmx-users] Trimer dynamics

[Marc Bruning]

dear list,

one oxygen in a phosphate group gets the gromacs atom type OM assigned while 
using the PRODRG server to generate the topology for a ligand. since i 
understand from the manual that OM means a C=O bond i am not sure if this is 
the correct classification for this atom which should be in a P=O bond. 
because there is no specific atom type for an oxygen bound to a phosphate in 
the atom type section (5.2.1) of the gmx-manual i wonder wether i need to add 
an atom type myself or if assigning C=O instead of P=O is a negligible 
impreciseness.

regards,
marc bruning