[gmx-users] add. residue in topology database

Daniele Veclani danieleveclani at gmail.com
Wed Mar 11 11:22:50 CET 2015


Dear users

I'm trying to build the topology files for a box with 1000 molecules of
water and an organic molecule.

when I use pdb2gmx come out the error: "OUB7 not found in residue topology
database"

how do I put this residue in the database?

I have a .itp file for this molecule.

I use gromacs 5.0.4.

Best regards.


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