[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