From: Josh Vermaas (vermaas2_at_illinois.edu)
Date: Wed Apr 27 2016 - 08:11:15 CDT
For the ions specifically, the topologies are identical between versions
27 and 36 of the force field (same residue and atomnames, atomtypes, and
charges). I don't remember if there are any changes in the parameters,
but I actually think the toppar_water_ions.str has the same information
as was present in CHARMM27.
On 04/26/2016 10:07 PM, Dhiraj Srivastava wrote:
> I am trying to place ions in my psf file using autoionize. however
> I am not seeing a place where I can specify topology file. its taking
> charmm27 topology file as default. however rest of my structure was
> build using charmm36. I tried to look for command line options but can
> not find a way to specify topology file. does anyone know, how can I
> do that?
This archive was generated by hypermail 2.1.6 : Sun Dec 31 2017 - 23:20:22 CST