[gmx-users] Re: ProDRG error

Parthiban Marimuthu mparthib at gmail.com
Wed Jul 20 11:11:09 CEST 2011

can any one help me in sorting out the file conversion error,
when using PRODRG server for converting pdb - gromacs topology format for
small molecule.
the error message displayed in gromacs was

Atomtype CH3 not found (while using amber99 FF)


Atomtype CH1 not found (while using GMX)


Atomtype NR not found (while using G43a1)

the small molecule was derived from pubchem and conformation was converted
using Maestro with proper charges and EM.

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