[gmx-users] topology with all hydrogens
tsjerkw at gmail.com
Sun Feb 6 10:53:30 CET 2011
So you want to have a topology with all atoms for use in a united atom force
field? Seems a bit awkward... PRODRG will only include polar hydrogens, in
accordance with the GROMOS force field. It won't be a particular trustworthy
topology, though, but you've probably caught the words of caution expressed
regularly on this list.
On Feb 6, 2011 9:42 AM, "mohsen ramezanpour" <ramezanpour.mohsen at gmail.com>
I want to generate a topology file in 43A1 force field for a small molecule.
Of course I want one which contains all hydrogens in that.
PRODRG doesn't generate like this.do you know another server with these
Thanks in advance
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