[gmx-users] dna with charmm36

gromacs query gromacsquery at gmail.com
Wed Feb 5 15:50:00 CET 2014

Hi All

I have simple DNA pdb which has just 5 DA residues built from NAB in AMBER.
I am trying to use pdb2gmx with charmm36-jan2014.ff downloaded from:


pdb2gmx -f a.pdb -o gro.pdb -ff charmm36-jan2014

I have changed all names according to DA residue defined in
charmm36-jan2014.ff/merged.rtp but still I get error:

Fatal error:
atom N not found in buiding block 1DA while combining tdb and rtp

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