[gmx-users] charmm 36 force field for DNA

Qinghua Liao scorpio.liao at gmail.com
Thu Sep 21 18:26:59 CEST 2017


I want to simulate a DNA with CHARMM 36 force field, but I found that 
the atom names in the pdb downloaded from the PDB data bank
do not match those in the CHARMM 36 force field. Is there a better tool 
to edit it properly than modifying manually? Thanks a lot!

PS: They match well with Amber force field, I don't need to do any changes.

All the best,

More information about the gromacs.org_gmx-users mailing list