[gmx-users] (no subject)
mariabiochemist1 at gmail.com
Wed Apr 5 12:00:45 CEST 2017
I have studied the manuals of gromacs and from that i came to know that
gromacs use united atom ff thats why i asked and in manuals many things has
been explained by quantum basis,,which is not understandable for me.
How can i find ff parameters for my ligand of interest?? also if
ff parameters are not in published form then it means i will not be able to
use that ligand for MD run?? My ligand of interest is alkaloid. and i dont
know how can i make the parameters for it.
More information about the gromacs.org_gmx-users