[gmx-users] creating topology using g_x2top

sreelakshmi ramesh sree.lakshmi at research.iiit.ac.in
Thu Jun 9 15:10:48 CEST 2011


Dear all ,
            I want to simulate a double walled nano tube in spc water i had
made the pdb file now if i use g_x2top for creating the topology file it
gives me the following error .

Now if i run * g_x2top -f out.pdb -o out.top -ff oplsaa*
it gives the following error

*Can not find forcefield for atom OW-5432 with 2 bonds
Can not find forcefield for atom OW-5435 with 2 bonds
Can not find forcefield for atom OW-5438 with 2 bonds
Can not find forcefield for atom OW-5441 with 2 bonds
Can not find forcefield for atom OW-5444 with 2 bonds
Can not find forcefield for atom OW-5447 with 2 bonds
Can not find forcefield for atom OW-5450 with 2 bonds


looking forward for your  suggestions,
Thanks in advance,
sree.*
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