[gmx-users] Problem g_x2top

Hernan Ahumada hernan at chem.gla.ac.uk
Tue Apr 19 11:32:50 CEST 2011

Good morning

I was working with x2top version 4.0.7 I put my new atoms in ffoplsaa.n2t file
and the program worked without problems I got a reasonable topology of my
compound but the program couldn't  create a rtp file.
 Now I have started to work with g_x2top version 4.5.3 and I copied all my new
atoms from ffoplsaa.n2t to atomname2type.n2t in /oplsaa.ff directory. When I
 g_x2top -f alop.pdb -o alpo.top -ff oplsaa -pbc
 the program show me the typical error

Can not find forcefield for atom O7 with 0 bonds

I don't know what happens because in version 4.07 all work OK but in the new
version no, can you help me with this problem?
Thanks a lot

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