[gmx-users] Setting custom atoms in FF

Alex nedomacho at gmail.com
Sun Mar 29 23:49:23 CEST 2015


Yeah, I know there's that disclaimer. I wonder if this

http://software-lisc.fbk.eu/obgmx/

could be useful. Any comment on this UFF? First time I'm hearing about
it, to be honest. The system I have in mind isn't much beyond CNTs and
nucleotide chains. Well, and water.

Thanks.

Alex


JL> g_x2top also doesn't purport to be terribly smart.  It may be better to find
JL> another means to generate your topology if there are going to be complex systems
JL> and subtle differences.




More information about the gromacs.org_gmx-users mailing list