Following Gromacs Manual and other suggestions from different topics I create a molecule with Avogadro, I decided to employ oplsaa ff (I copied it in a local directory giving a new name) and I manipulated $.rtp and atotype file, even updating residuetypes.dat.

Running gmx with the following command : gmx pdb2gmx -ff oplsaa_01 -f $.pdb the following message appears....

Program: gmx pdb2gmx, version 2018.1

Source file: src/gromacs/gmxpreprocess/resall.cpp (line 639)

Fatal error:

Residue 'EC' not found in residue topology database

For more information and tips for troubleshooting, please check the GROMACS

website at http://www.gromacs.org/Documentation/Errors

any suggestion?

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