[gmx-users] The charge of cofactor and ligand

aixintiankong aixintiankong at 126.com
Mon Sep 23 17:47:08 CEST 2013

Previous message: [gmx-users] script to convert the TIP3P water model into TIP4(P)/2005
Next message: [gmx-users] The charge of cofactor and ligand
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

Dear prof,
can i use the RESP charge for the cofactor NAD+ and AM1-BBC charge for ligand and then  use acpype to  generate GAFF force field parameter for the NAD+ and ligand?

Previous message: [gmx-users] script to convert the TIP3P water model into TIP4(P)/2005
Next message: [gmx-users] The charge of cofactor and ligand
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

More information about the gromacs.org_gmx-users mailing list