[gmx-users] Re: Fatal error: Atomtype O2 not found
ramaraju801 at gmail.com
Sat Jun 9 14:53:22 CEST 2012
i added -ter to pdb2gmx command and produced the topology file but still the
energy minimization step in vacuum is producing the same error
am presently running the simulation step i.e energy minimization of
structure in vacuum.
when producing the topology file ,it gave errors saying some of the atoms
are missing in atomtypes which i gave ,
you said atoms shouldn't be added which were not in the first place then can
u tell me the alternative.
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